 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_LCPBE_augccpVDZ.in
 Output=36c_RhEn3-lelob2_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/36c_RhEn3-lelob2_STD/Gau-21360.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21362.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                18-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36c_RhEn3-lelob2_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023600
 0000,3/108=0236000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1) Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=1001009,75=-5,107=236000000,108=236000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Jul 18 17:14:30 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     3
 TstMul:  Mul=     1
 TstMul:  ICh=     3
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_LCPBE_augccpVDZ.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Jul 18 17:14:31 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Sun Jul 18 17:14:31 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.236000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.236000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Jul 18 17:14:34 2021, MaxMem=  5637144576 cpu:              19.2 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29880 LenP2D=  115104.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.19D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Sun Jul 18 17:14:37 2021, MaxMem=  5637144576 cpu:              19.6 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Jul 18 17:14:37 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Jul 18 17:14:39 2021, MaxMem=  5637144576 cpu:              11.7 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636461399 LenY=  5636124419
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -679.243886694736    
 DIIS: error= 3.23D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -679.243886694736     IErMin= 1 ErrMin= 3.23D-05
 ErrMax= 3.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-07 BMatP= 6.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=6.58D-05 MaxDP=2.50D-02              OVMax= 3.30D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.60D-05    CP:  9.99D-01
 E= -679.243887832787     Delta-E=       -0.000001138050 Rises=F Damp=F
 DIIS: error= 1.78D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -679.243887832787     IErMin= 2 ErrMin= 1.78D-05
 ErrMax= 1.78D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-07 BMatP= 6.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D+00 0.773D+00
 Coeff:      0.227D+00 0.773D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.80D-05 MaxDP=6.82D-03 DE=-1.14D-06 OVMax= 1.61D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.28D-06    CP:  9.99D-01  7.33D-01
 E= -679.243887801862     Delta-E=        0.000000030925 Rises=F Damp=F
 DIIS: error= 2.73D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -679.243887832787     IErMin= 2 ErrMin= 1.78D-05
 ErrMax= 2.73D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-07 BMatP= 2.21D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D+00 0.593D+00 0.513D+00
 Coeff:     -0.106D+00 0.593D+00 0.513D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.47D-05 MaxDP=5.79D-03 DE= 3.09D-08 OVMax= 1.29D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.91D-06    CP:  9.99D-01  9.57D-01  3.87D-01
 E= -679.243888022750     Delta-E=       -0.000000220888 Rises=F Damp=F
 DIIS: error= 2.29D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -679.243888022750     IErMin= 4 ErrMin= 2.29D-06
 ErrMax= 2.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-09 BMatP= 2.21D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.250D-01 0.392D-01 0.111D+00 0.875D+00
 Coeff:     -0.250D-01 0.392D-01 0.111D+00 0.875D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.76D-06 MaxDP=1.05D-03 DE=-2.21D-07 OVMax= 1.88D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.28D-07    CP:  9.99D-01  9.16D-01  5.19D-01  9.64D-01
 E= -679.243888026324     Delta-E=       -0.000000003575 Rises=F Damp=F
 DIIS: error= 6.22D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -679.243888026324     IErMin= 5 ErrMin= 6.22D-07
 ErrMax= 6.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-10 BMatP= 3.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-02-0.546D-01-0.201D-01 0.316D+00 0.757D+00
 Coeff:      0.225D-02-0.546D-01-0.201D-01 0.316D+00 0.757D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=3.31D-07 MaxDP=1.17D-04 DE=-3.57D-09 OVMax= 6.74D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.49D-07    CP:  9.99D-01  9.12D-01  5.32D-01  9.74D-01  9.17D-01
 E= -679.243888026717     Delta-E=       -0.000000000392 Rises=F Damp=F
 DIIS: error= 1.77D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -679.243888026717     IErMin= 6 ErrMin= 1.77D-07
 ErrMax= 1.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-11 BMatP= 2.87D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.339D-02-0.238D-01-0.175D-01 0.574D-01 0.300D+00 0.681D+00
 Coeff:      0.339D-02-0.238D-01-0.175D-01 0.574D-01 0.300D+00 0.681D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=8.57D-08 MaxDP=3.18D-05 DE=-3.92D-10 OVMax= 1.43D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.64D-08    CP:  9.99D-01  9.11D-01  5.34D-01  9.75D-01  9.33D-01
                    CP:  1.02D+00
 E= -679.243888026683     Delta-E=        0.000000000034 Rises=F Damp=F
 DIIS: error= 5.00D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -679.243888026717     IErMin= 7 ErrMin= 5.00D-08
 ErrMax= 5.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-12 BMatP= 3.48D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.514D-03-0.731D-04-0.184D-02-0.232D-01-0.122D-01 0.171D+00
 Coeff-Com:  0.866D+00
 Coeff:      0.514D-03-0.731D-04-0.184D-02-0.232D-01-0.122D-01 0.171D+00
 Coeff:      0.866D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.73D-08 MaxDP=7.91D-06 DE= 3.37D-11 OVMax= 6.11D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.28D-08    CP:  9.99D-01  9.11D-01  5.34D-01  9.75D-01  9.54D-01
                    CP:  1.07D+00  9.67D-01
 E= -679.243888026727     Delta-E=       -0.000000000044 Rises=F Damp=F
 DIIS: error= 1.58D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -679.243888026727     IErMin= 8 ErrMin= 1.58D-08
 ErrMax= 1.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-13 BMatP= 2.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.807D-04 0.191D-02 0.986D-03-0.147D-01-0.306D-01 0.754D-02
 Coeff-Com:  0.354D+00 0.681D+00
 Coeff:     -0.807D-04 0.191D-02 0.986D-03-0.147D-01-0.306D-01 0.754D-02
 Coeff:      0.354D+00 0.681D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.97D-08 MaxDP=7.54D-06 DE=-4.43D-11 OVMax= 1.72D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.24D-09    CP:  9.99D-01  9.10D-01  5.35D-01  9.74D-01  9.55D-01
                    CP:  1.08D+00  1.01D+00  8.98D-01
 E= -679.243888026688     Delta-E=        0.000000000039 Rises=F Damp=F
 DIIS: error= 3.36D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -679.243888026727     IErMin= 9 ErrMin= 3.36D-09
 ErrMax= 3.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-15 BMatP= 3.69D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.438D-04 0.145D-03 0.272D-03 0.405D-03-0.123D-02-0.145D-01
 Coeff-Com: -0.347D-01 0.719D-01 0.978D+00
 Coeff:     -0.438D-04 0.145D-03 0.272D-03 0.405D-03-0.123D-02-0.145D-01
 Coeff:     -0.347D-01 0.719D-01 0.978D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.52D-09 MaxDP=7.75D-07 DE= 3.89D-11 OVMax= 7.99D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -679.243888027     A.U. after    9 cycles
            NFock=  9  Conv=0.25D-08     -V/T= 2.1208
 KE= 6.060384013633D+02 PE=-3.902987424302D+03 EE= 1.419383216681D+03
 Leave Link  502 at Sun Jul 18 17:43:01 2021, MaxMem=  5637144576 cpu:           13506.3 elap:            1701.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.19378387D+03

 Leave Link  801 at Sun Jul 18 17:43:02 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 3.43D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.79D-01 5.74D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 6.52D-02 8.11D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 1.14D-02 2.49D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 1.98D-03 1.32D-02.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 2.60D-04 5.22D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 6.33D-05 2.57D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 6.43D-06 4.20D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 2.72D-07 1.10D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 1.14D-08 2.86D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 4.48D-10 5.04D-06.
     10 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 1.48D-11 1.02D-06.
      7 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 4.73D-13 1.35D-07.
      2 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 3.13D-14 1.97D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   140 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.159952D+03
      2 -0.838060D-03  0.158372D+03
      3 -0.166069D-02  0.814159D-01  0.125256D+03
 Isotropic polarizability for W=    0.085645      147.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.913475D+02 -0.537299D+00  0.196342D-01
      2   0.982250D+02  0.572173D+00  0.126686D-01
      3  -0.687747D+01 -0.348741D-01 -0.323029D-01
      4  -0.555688D+00  0.101254D+03 -0.544760D+01
      5  -0.664767D-01  0.131260D+01 -0.102157D+02
      6  -0.101732D+02 -0.774815D-01 -0.589820D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.135228D+01 -0.376409D-01  0.424823D-02
      2  -0.182180D-01  0.297270D+01 -0.235092D+01
      3  -0.120992D-01 -0.215544D+01 -0.344681D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.676019D+01 -0.901501D-01  0.241079D-01
      2   0.861109D-01  0.472561D+01 -0.333819D+01
      3  -0.183889D-01 -0.302912D+01 -0.114858D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.145299D+01  0.134598D-01  0.267761D-02
      2   0.134598D-01 -0.121815D+01  0.330678D+00
      3   0.267761D-02  0.330678D+00 -0.206124D+01
 OR G Eigenvalues:    -2.1755    -1.1040     1.4531  Iso=     0.6088
 Eigenvectors:
   (1)   0.000514  -0.326498   0.945198
   (2)  -0.005317   0.945184   0.326496
   (3)   0.999986   0.005194   0.001251
 w=    0.085645 a.u., Optical Rotation Beta=      0.6088 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      101.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.16D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.02D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.72D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 9.05D-01 4.52D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.54D-02 2.78D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 3.33D-04 3.11D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 1.21D-05 4.78D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 1.57D-07 6.03D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 2.30D-09 1.04D-05.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 3.81D-11 1.38D-06.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 6.05D-13 1.42D-07.
     19 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 1.04D-14 1.41D-08.
      3 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 1.95D-15 4.11D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   292 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.38D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.38D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.36D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.159952D+03 -0.838060D-03 -0.166069D-02
      2  -0.838060D-03  0.158372D+03  0.814159D-01
      3  -0.166069D-02  0.814159D-01  0.125256D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.135228D+01 -0.376409D-01  0.424823D-02
      2  -0.182180D-01  0.297270D+01 -0.235092D+01
      3  -0.120992D-01 -0.215544D+01 -0.344681D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.913475D+02 -0.537299D+00  0.196342D-01
      2   0.982250D+02  0.572173D+00  0.126686D-01
      3  -0.687747D+01 -0.348741D-01 -0.323029D-01
      4  -0.555688D+00  0.101254D+03 -0.544760D+01
      5  -0.664767D-01  0.131260D+01 -0.102157D+02
      6  -0.101732D+02 -0.774815D-01 -0.589820D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.456062D+01 -0.394890D+01  0.331757D+01 -0.549770D+01  0.123459D+01
      2  -0.394890D+01  0.801675D+00 -0.518390D+00  0.123459D+01  0.277272D+01
      3   0.331757D+01 -0.518390D+00  0.770061D+00 -0.114082D+01  0.280547D+01
                 6             7             8             9            10 
      1  -0.114082D+01  0.231636D+01 -0.727302D+00  0.904077D+00  0.450860D+01
      2   0.280547D+01 -0.727302D+00  0.227167D+01  0.742591D+00  0.395507D+01
      3   0.601055D+00  0.904077D+00  0.742591D+00 -0.223478D+00 -0.330561D+01
                11            12            13            14            15 
      1   0.395507D+01 -0.330561D+01  0.551400D+01  0.129733D+01 -0.113366D+01
      2   0.854730D+00 -0.509448D+00  0.129733D+01 -0.275794D+01 -0.281000D+01
      3  -0.509448D+00  0.757944D+00 -0.113366D+01 -0.281000D+01 -0.597477D+00
                16            17            18            19            20 
      1  -0.230196D+01 -0.714049D+00  0.897153D+00 -0.898457D+01 -0.451673D+01
      2  -0.714049D+00 -0.227425D+01 -0.739013D+00 -0.451673D+01 -0.141031D+01
      3   0.897153D+00 -0.739013D+00  0.225062D+00  0.493472D+01  0.133294D+01
                21            22            23            24            25 
      1   0.493472D+01 -0.151037D+01 -0.692373D+00  0.177540D+00  0.302726D+01
      2   0.133294D+01 -0.692373D+00  0.156119D+01  0.134756D+01  0.112341D+01
      3  -0.196930D+01  0.177540D+00  0.134756D+01 -0.718547D+00 -0.186524D+01
                26            27            28            29            30 
      1   0.112341D+01 -0.186524D+01  0.153295D+01  0.105147D-01  0.358413D-02
      2   0.175671D+01 -0.996408D+00  0.105147D-01 -0.181726D+01 -0.147450D+01
      3  -0.996408D+00 -0.158239D+01  0.358413D-02 -0.147450D+01  0.207120D+00
                31            32            33            34            35 
      1   0.139767D-01 -0.176564D+01  0.173552D+01  0.861845D-02 -0.862214D-01
      2  -0.176564D+01 -0.547094D-02  0.203617D-02 -0.862214D-01  0.143900D-01
      3   0.173552D+01  0.203617D-02  0.375128D-02  0.107591D+00  0.382205D-02
                36            37            38            39            40 
      1   0.107591D+00  0.504664D+01  0.392895D+01 -0.182503D+01  0.589080D+01
      2   0.382205D-02  0.392895D+01  0.146030D+01 -0.291050D+01  0.350528D+01
      3   0.346283D-02 -0.182503D+01 -0.291050D+01  0.180770D+01 -0.355995D+01
                41            42            43            44            45 
      1   0.350528D+01 -0.355995D+01 -0.140332D+01 -0.178171D+01  0.239932D+01
      2   0.321662D+01 -0.254662D+01 -0.178171D+01 -0.132092D+01 -0.860762D-01
      3  -0.254662D+01  0.539814D+00  0.239932D+01 -0.860762D-01  0.654579D+00
                46            47            48            49            50 
      1  -0.295545D+01 -0.100878D+01 -0.257090D+00 -0.213015D+01 -0.249327D+01
      2  -0.100878D+01 -0.105945D+01  0.313447D+01 -0.249327D+01 -0.144079D+01
      3  -0.257090D+00  0.313447D+01 -0.195723D+01  0.316842D+01  0.261736D+01
                51            52            53            54            55 
      1   0.316842D+01  0.910531D-01  0.417549D+01 -0.273089D+01  0.861672D+00
      2   0.261736D+01  0.417549D+01  0.315175D+01 -0.712593D+00 -0.100372D+01
      3  -0.192634D+00 -0.273089D+01 -0.712593D+00  0.325842D+00  0.924025D+00
                56            57            58            59            60 
      1  -0.100372D+01  0.924025D+00 -0.358516D+00 -0.406759D+00 -0.274315D+01
      2  -0.205577D+01 -0.275260D+01 -0.406759D+00 -0.529401D+01 -0.321846D+01
      3  -0.275260D+01  0.941492D+00 -0.274315D+01 -0.321846D+01 -0.153765D+01
                61            62            63            64            65 
      1   0.135551D+01 -0.332409D+01  0.871453D+00  0.128399D+01  0.370558D+00
      2  -0.332409D+01 -0.450973D+01 -0.244817D+01  0.370558D+00  0.351047D+01
      3   0.871453D+00 -0.244817D+01 -0.195814D+00 -0.612337D+00  0.215610D+01
                66            67            68            69            70 
      1  -0.612337D+00 -0.365702D+00  0.850028D+00  0.153591D+01 -0.353816D+00
      2   0.215610D+01  0.850028D+00  0.110061D+02  0.460216D+01  0.922899D+00
      3  -0.525231D+00  0.153591D+01  0.460216D+01  0.158686D+01 -0.128481D+01
                71            72            73            74            75 
      1   0.922899D+00 -0.128481D+01 -0.900461D+01  0.449189D+01 -0.493614D+01
      2   0.281496D+01  0.189097D+01  0.449189D+01 -0.136887D+01  0.132574D+01
      3   0.189097D+01 -0.694408D+00 -0.493614D+01  0.132574D+01 -0.198182D+01
                76            77            78            79            80 
      1   0.147751D+01 -0.660170D+00  0.164241D+00 -0.303466D+01  0.112572D+01
      2  -0.660170D+00 -0.157044D+01 -0.134874D+01  0.112572D+01 -0.175894D+01
      3   0.164241D+00 -0.134874D+01  0.700371D+00 -0.187746D+01  0.981515D+00
                81            82            83            84            85 
      1  -0.187746D+01  0.508435D+01 -0.392299D+01  0.183727D+01 -0.589153D+01
      2   0.981515D+00 -0.392299D+01  0.145306D+01 -0.292347D+01  0.348794D+01
      3   0.158366D+01  0.183727D+01 -0.292347D+01  0.180236D+01 -0.357348D+01
                86            87            88            89            90 
      1   0.348794D+01 -0.357348D+01  0.140054D+01 -0.178612D+01  0.239165D+01
      2  -0.319892D+01  0.252026D+01 -0.178612D+01  0.130247D+01  0.943671D-01
      3   0.252026D+01 -0.534506D+00  0.239165D+01  0.943671D-01 -0.645263D+00
                91            92            93            94            95 
      1  -0.297208D+01  0.100521D+01  0.231326D+00  0.213352D+01 -0.249719D+01
      2   0.100521D+01 -0.107290D+01  0.315340D+01 -0.249719D+01  0.143292D+01
      3   0.231326D+00  0.315340D+01 -0.194721D+01  0.318515D+01 -0.259237D+01
                96            97            98            99           100 
      1   0.318515D+01 -0.120991D+00  0.419127D+01 -0.272044D+01  0.849868D+00
      2  -0.259237D+01  0.419127D+01 -0.311703D+01  0.695442D+00  0.102355D+01
      3   0.179336D+00 -0.272044D+01  0.695442D+00 -0.331696D+00 -0.895698D+00
               101           102           103           104           105 
      1   0.102355D+01 -0.895698D+00  0.366251D+00 -0.406248D+00 -0.276201D+01
      2  -0.206049D+01 -0.277548D+01 -0.406248D+00  0.524950D+01  0.318553D+01
      3  -0.277548D+01  0.921893D+00 -0.276201D+01  0.318553D+01  0.154982D+01
               106           107           108           109           110 
      1  -0.132290D+01 -0.335171D+01  0.846879D+00  0.128832D+01 -0.382741D+00
      2  -0.335171D+01  0.448113D+01  0.246599D+01 -0.382741D+00  0.354400D+01
      3   0.846879D+00  0.246599D+01  0.207550D+00  0.593081D+00  0.217638D+01
               111           112           113           114           115 
      1   0.593081D+00  0.364111D+00  0.886541D+00  0.155440D+01  0.344760D+00
      2   0.217638D+01  0.886541D+00 -0.109722D+02 -0.458470D+01  0.935888D+00
      3  -0.514017D+00  0.155440D+01 -0.458470D+01 -0.159482D+01 -0.127237D+01
               116           117           118           119           120 
      1   0.935888D+00 -0.127237D+01  0.504447D+01  0.257656D+00  0.145297D+01
      2  -0.282382D+01 -0.190873D+01  0.257656D+00  0.137362D+01 -0.272130D+00
      3  -0.190873D+01  0.692338D+00  0.145297D+01 -0.272130D+00  0.146184D+01
               121           122           123           124           125 
      1  -0.831165D+00  0.815368D+00 -0.530311D+00  0.272795D+01 -0.403925D+00
      2   0.815368D+00 -0.916201D+00  0.349230D+00 -0.403925D+00  0.941485D+00
      3  -0.530311D+00  0.349230D+00 -0.424198D+00  0.193847D+01  0.519546D-02
               126           127           128           129           130 
      1   0.193847D+01  0.442771D+01  0.284379D+01 -0.152351D+01  0.301281D+01
      2   0.519546D-02  0.284379D+01  0.260899D+01 -0.140266D+01  0.319845D+01
      3   0.209497D+01 -0.152351D+01 -0.140266D+01  0.144326D+01 -0.149390D+01
               131           132           133           134           135 
      1   0.319845D+01 -0.149390D+01 -0.273003D+01 -0.276486D+01  0.244388D+01
      2   0.542986D+01 -0.201751D+01 -0.276486D+01 -0.311830D+01  0.235920D+01
      3  -0.201751D+01  0.160393D+01  0.244388D+01  0.235920D+01 -0.271165D+01
               136           137           138           139           140 
      1  -0.249618D+01  0.103184D+01 -0.101592D+01  0.941160D+00 -0.106656D+01
      2   0.103184D+01 -0.232099D+01  0.842110D+00 -0.106656D+01  0.356612D+01
      3  -0.101592D+01  0.842110D+00 -0.116431D+01  0.546442D+00 -0.828841D+00
               141           142           143           144           145 
      1   0.546442D+00 -0.177111D+01  0.978640D+00 -0.100198D+01  0.144969D+01
      2  -0.828841D+00  0.978640D+00 -0.187944D+01  0.167945D+01  0.199151D+01
      3   0.101347D+01 -0.100198D+01  0.167945D+01 -0.218078D+01  0.566690D+00
               146           147           148           149           150 
      1   0.199151D+01  0.566690D+00  0.157461D+01  0.193469D+01  0.844574D+00
      2   0.235837D+01  0.935526D+00  0.193469D+01  0.914001D+01  0.280957D+01
      3   0.935526D+00  0.613200D+00  0.844574D+00  0.280957D+01  0.196491D+01
               151           152           153           154           155 
      1   0.562678D+00  0.150116D+01  0.755917D+00 -0.248036D+01 -0.103405D+01
      2   0.150116D+01  0.514448D+01  0.314246D+01 -0.103405D+01 -0.232201D+01
      3   0.755917D+00  0.314246D+01  0.248414D+01  0.100611D+01  0.843144D+00
               156           157           158           159           160 
      1   0.100611D+01 -0.947882D+00 -0.106471D+01  0.547642D+00  0.175839D+01
      2   0.843144D+00 -0.106471D+01 -0.359836D+01  0.836382D+00  0.979445D+00
      3  -0.115649D+01  0.547642D+00  0.836382D+00 -0.102108D+01 -0.990782D+00
               161           162           163           164           165 
      1   0.979445D+00 -0.990782D+00  0.147493D+01 -0.200466D+01 -0.578702D+00
      2   0.189285D+01 -0.168439D+01 -0.200466D+01  0.238293D+01  0.950099D+00
      3  -0.168439D+01  0.217270D+01 -0.578702D+00  0.950099D+00  0.627229D+00
               166           167           168           169           170 
      1  -0.158310D+01  0.195210D+01  0.855758D+00 -0.579464D+00  0.152364D+01
      2   0.195210D+01 -0.908227D+01 -0.280415D+01  0.152364D+01 -0.513922D+01
      3   0.855758D+00 -0.280415D+01 -0.196664D+01  0.774006D+00 -0.314749D+01
               171           172           173           174           175 
      1   0.774006D+00  0.504326D+01 -0.240857D+00 -0.144667D+01  0.850091D+00
      2  -0.314749D+01 -0.240857D+00  0.137120D+01 -0.279348D+00  0.816593D+00
      3  -0.249864D+01 -0.144667D+01 -0.279348D+00  0.145767D+01 -0.536631D+00
               176           177           178           179           180 
      1   0.816593D+00 -0.536631D+00 -0.271716D+01 -0.415777D+00  0.193349D+01
      2   0.935660D+00 -0.352530D+00 -0.415777D+00 -0.944595D+00  0.572111D-02
      3  -0.352530D+00  0.432254D+00  0.193349D+01  0.572111D-02 -0.208836D+01
               181           182           183           184           185 
      1   0.446310D+01 -0.285183D+01  0.153329D+01 -0.302293D+01  0.320218D+01
      2  -0.285183D+01  0.261414D+01 -0.140563D+01  0.320218D+01 -0.540487D+01
      3   0.153329D+01 -0.140563D+01  0.144714D+01 -0.149617D+01  0.200561D+01
               186           187           188           189           190 
      1  -0.149617D+01  0.274595D+01 -0.276549D+01  0.244854D+01  0.458816D+01
      2   0.200561D+01 -0.276549D+01  0.309616D+01 -0.234850D+01  0.801553D+00
      3  -0.159751D+01  0.244854D+01 -0.234850D+01  0.270645D+01  0.190411D+01
               191           192           193           194           195 
      1   0.801553D+00  0.190411D+01  0.263041D+01  0.109357D+00  0.183673D+01
      2   0.186815D+01  0.690686D+00  0.109357D+00  0.209426D+01 -0.556663D-01
      3   0.690686D+00  0.161027D+01  0.183673D+01 -0.556663D-01  0.146649D+01
               196           197           198           199           200 
      1   0.104059D+01  0.965305D+00  0.971716D+00 -0.163775D+01  0.129912D+01
      2   0.965305D+00  0.152535D+00  0.565773D+00  0.129912D+01 -0.103062D+01
      3   0.971716D+00  0.565773D+00  0.179458D+01 -0.121904D+00  0.989037D+00
               201           202           203           204           205 
      1  -0.121904D+00 -0.100391D+00  0.458631D-01  0.261851D+00  0.136592D+01
      2   0.989037D+00  0.458631D-01 -0.124659D+01  0.936902D+00 -0.335809D+00
      3  -0.167482D+01  0.261851D+00  0.936902D+00 -0.139156D+01  0.264567D+00
               206           207           208           209           210 
      1  -0.335809D+00  0.264567D+00 -0.354609D+01 -0.100894D+01 -0.156924D+01
      2   0.148680D+01 -0.136932D+01 -0.100894D+01 -0.384295D+01 -0.199173D+01
      3  -0.136932D+01  0.581033D+01 -0.156924D+01 -0.199173D+01 -0.197336D+01
               211           212           213           214           215 
      1  -0.161872D+01 -0.128438D+01 -0.930254D+00 -0.125508D+01 -0.829145D+00
      2  -0.128438D+01 -0.156773D+01 -0.339607D+00 -0.829145D+00 -0.488017D-02
      3  -0.930254D+00 -0.339607D+00 -0.752369D+00 -0.943184D+00 -0.638522D+00
               216           217           218           219           220 
      1  -0.943184D+00  0.866429D+00 -0.688413D+00 -0.124132D+01 -0.423408D+00
      2  -0.638522D+00 -0.688413D+00  0.170329D+01  0.508602D+00 -0.777038D-01
      3  -0.183756D+01 -0.124132D+01  0.508602D+00  0.204754D+01 -0.217012D+00
               221           222           223           224           225 
      1  -0.777038D-01 -0.217012D+00 -0.119098D+01  0.241053D+00  0.109781D+01
      2   0.202812D+01  0.330920D+00  0.241053D+00 -0.169243D+01 -0.945060D+00
      3   0.330920D+00  0.630165D+00  0.109781D+01 -0.945060D+00 -0.564252D+01
               226           227           228           229           230 
      1   0.395729D+00  0.466012D+00  0.754919D+00  0.283563D+01 -0.121331D+01
      2   0.466012D+00 -0.103679D+01 -0.102805D+00 -0.121331D+01  0.581853D+01
      3   0.754919D+00 -0.102805D+00  0.169643D+00  0.969344D+00 -0.978729D+00
               231           232           233           234           235 
      1   0.969344D+00  0.178583D+01 -0.388281D+00  0.529990D+00  0.795832D+00
      2  -0.978729D+00 -0.388281D+00  0.621571D-01  0.462203D+00 -0.696171D+00
      3   0.138485D+01  0.529990D+00  0.462203D+00 -0.258088D+00  0.443749D-02
               236           237           238           239           240 
      1  -0.696171D+00  0.443749D-02 -0.123868D+01  0.103278D+00 -0.430548D+00
      2  -0.389425D-01 -0.360406D+00  0.103278D+00  0.723991D+00 -0.545160D+00
      3  -0.360406D+00  0.659736D+00 -0.430548D+00 -0.545160D+00 -0.356181D+00
               241           242           243           244           245 
      1  -0.210618D+01  0.298166D+00 -0.105863D+01 -0.355628D+01  0.101689D+01
      2   0.298166D+00 -0.111706D+01  0.120310D+01  0.101689D+01 -0.384330D+01
      3  -0.105863D+01  0.120310D+01 -0.714456D+01  0.158172D+01 -0.198836D+01
               246           247           248           249           250 
      1   0.158172D+01  0.161542D+01 -0.128057D+01 -0.926229D+00  0.126085D+01
      2  -0.198836D+01 -0.128057D+01  0.154358D+01  0.329723D+00 -0.824818D+00
      3  -0.197795D+01 -0.926229D+00  0.329723D+00  0.746978D+00 -0.946652D+00
               251           252           253           254           255 
      1  -0.824818D+00 -0.946652D+00  0.864306D+00  0.687595D+00  0.124410D+01
      2   0.231440D-02  0.638883D+00  0.687595D+00  0.171874D+01  0.516638D+00
      3   0.638883D+00  0.184170D+01  0.124410D+01  0.516638D+00  0.205570D+01
               256           257           258           259           260 
      1   0.428233D+00 -0.656065D-01 -0.211174D+00  0.119027D+01  0.241097D+00
      2  -0.656065D-01 -0.202009D+01 -0.328516D+00  0.241097D+00  0.169696D+01
      3  -0.211174D+00 -0.328516D+00 -0.617019D+00  0.109857D+01  0.954967D+00
               261           262           263           264           265 
      1   0.109857D+01  0.461147D+01 -0.798254D+00 -0.190583D+01 -0.261961D+01
      2   0.954967D+00 -0.798254D+00  0.187629D+01  0.681819D+00  0.109740D+00
      3   0.564274D+01 -0.190583D+01  0.681819D+00  0.160750D+01  0.182579D+01
               266           267           268           269           270 
      1   0.109740D+00  0.182579D+01 -0.103567D+01  0.963655D+00  0.963974D+00
      2  -0.209089D+01  0.681570D-01  0.963655D+00 -0.139026D+00 -0.561895D+00
      3   0.681570D-01 -0.145459D+01  0.963974D+00 -0.561895D+00 -0.177942D+01
               271           272           273           274           275 
      1  -0.162469D+01 -0.130226D+01  0.118949D+00  0.901415D-01  0.390219D-01
      2  -0.130226D+01 -0.103717D+01  0.987170D+00  0.390219D-01  0.123574D+01
      3   0.118949D+00  0.987170D+00 -0.167279D+01  0.262685D+00 -0.927702D+00
               276           277           278           279           280 
      1   0.262685D+00 -0.136863D+01 -0.340790D+00  0.269255D+00 -0.103246D+01
      2  -0.927702D+00 -0.340790D+00 -0.148962D+01  0.136443D+01 -0.684966D+00
      3   0.137697D+01  0.269255D+00  0.136443D+01 -0.582285D+01 -0.102038D+01
               281           282           283           284           285 
      1  -0.684966D+00 -0.102038D+01 -0.173567D+01 -0.125906D+01 -0.617727D+00
      2  -0.401201D+00 -0.170674D+00 -0.125906D+01 -0.410594D+01 -0.202708D+01
      3  -0.170674D+00 -0.433857D+00 -0.617727D+00 -0.202708D+01 -0.232814D+01
               286           287           288           289           290 
      1  -0.172401D+01 -0.398314D+00 -0.943147D+00 -0.946484D+01  0.236377D+01
      2  -0.398314D+00 -0.154069D+01 -0.142301D+01  0.236377D+01 -0.164952D+01
      3  -0.943147D+00 -0.142301D+01 -0.220320D+01 -0.259732D+01  0.628952D+00
               291           292           293           294           295 
      1  -0.259732D+01  0.462084D+01 -0.248012D+01  0.146282D+01 -0.283789D+01
      2   0.628952D+00 -0.248012D+01  0.138869D+01 -0.123584D+01  0.779754D+00
      3  -0.192648D+01  0.146282D+01 -0.123584D+01  0.938933D+00 -0.240054D+01
               296           297           298           299           300 
      1   0.779754D+00 -0.240054D+01 -0.943164D+01 -0.238762D+01  0.257921D+01
      2  -0.781982D+00  0.617433D+00 -0.238762D+01 -0.166565D+01  0.631266D+00
      3   0.617433D+00 -0.155420D+01  0.257921D+01  0.631266D+00 -0.191526D+01
               301           302           303           304           305 
      1  -0.465030D+01 -0.250666D+01  0.146453D+01  0.281773D+01  0.783243D+00
      2  -0.250666D+01 -0.141812D+01  0.124088D+01  0.783243D+00  0.785092D+00
      3   0.146453D+01  0.124088D+01 -0.944338D+00 -0.238926D+01 -0.625145D+00
               306           307           308           309           310 
      1  -0.238926D+01 -0.105400D+01  0.690376D+00  0.102428D+01  0.174715D+01
      2  -0.625145D+00  0.690376D+00 -0.418859D+00 -0.178154D+00 -0.127524D+01
      3   0.154277D+01  0.102428D+01 -0.178154D+00 -0.445373D+00 -0.626867D+00
               311           312           313           314           315 
      1  -0.127524D+01 -0.626867D+00  0.172787D+01 -0.401921D+00 -0.950257D+00
      2   0.409501D+01  0.202224D+01 -0.401921D+00  0.153634D+01  0.141851D+01
      3   0.202224D+01  0.232569D+01 -0.950257D+00  0.141851D+01  0.220004D+01
               316           317           318           319           320 
      1   0.784021D+00  0.700209D+00 -0.156702D-02  0.124834D+01  0.113199D+00
      2   0.700209D+00 -0.327996D-01 -0.359660D+00  0.113199D+00 -0.717963D+00
      3  -0.156702D-02 -0.359660D+00  0.651549D+00 -0.435169D+00  0.540636D+00
               321           322           323           324           325 
      1  -0.435169D+00  0.210428D+01  0.302381D+00 -0.106078D+01  0.414873D+00
      2   0.540636D+00  0.302381D+00  0.111635D+01 -0.119597D+01 -0.454182D+00
      3   0.371519D+00 -0.106078D+01 -0.119597D+01  0.714697D+01 -0.758085D+00
               326           327           328           329           330 
      1  -0.454182D+00 -0.758085D+00 -0.282918D+01 -0.120597D+01  0.965720D+00
      2  -0.101410D+01 -0.108130D+00 -0.120597D+01 -0.582987D+01  0.991577D+00
      3  -0.108130D+00  0.174657D+00  0.965720D+00  0.991577D+00 -0.138790D+01
               331           332           333 
      1  -0.177855D+01 -0.391882D+00  0.528112D+00
      2  -0.391882D+00 -0.546541D-01 -0.461725D+00
      3   0.528112D+00 -0.461725D+00  0.264968D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.235005D+01 -0.339963D+00  0.289032D-01  0.489743D+00 -0.209682D+01
      2  -0.266265D+01 -0.682203D+01  0.775500D+01 -0.685862D+01 -0.845046D+01
      3  -0.830181D+01 -0.185838D+01  0.300318D+01  0.221730D+01  0.102626D+02
                 6             7             8             9            10 
      1  -0.435855D+01  0.941630D+00 -0.738442D+00 -0.359371D+00  0.235571D+01
      2  -0.583503D+01  0.219307D+01  0.544414D-02 -0.118005D+01  0.270954D+01
      3   0.906559D+01  0.274403D+01  0.984333D+01  0.293993D+01  0.832423D+01
                11            12            13            14            15 
      1   0.403868D+00 -0.472452D-01 -0.429050D+00 -0.210951D+01 -0.436895D+01
      2  -0.685717D+01  0.774763D+01 -0.691851D+01  0.837360D+01  0.583619D+01
      3  -0.171868D+01  0.305568D+01  0.235927D+01 -0.102443D+02 -0.905071D+01
                16            17            18            19            20 
      1  -0.945772D+00 -0.730481D+00 -0.355739D+00  0.418927D+00  0.673127D+01
      2   0.215911D+01 -0.205324D-01  0.119895D+01 -0.143544D+02  0.127243D+01
      3   0.279880D+01 -0.984199D+01 -0.292589D+01 -0.743886D+01  0.481661D+01
                21            22            23            24            25 
      1   0.960558D+00  0.147343D+02  0.138996D+02 -0.831696D+01  0.802504D+01
      2  -0.426613D+01 -0.159719D+01 -0.247776D+01 -0.534906D+00 -0.199236D+02
      3  -0.856564D+00  0.207654D+02  0.153839D+02 -0.748707D+01  0.219863D+01
                26            27            28            29            30 
      1   0.569969D+01 -0.115338D+02 -0.265188D+01 -0.899063D-02  0.100347D-01
      2  -0.727812D+01  0.192061D+02 -0.153258D-01  0.207363D+01  0.407665D+01
      3  -0.267496D+01  0.656923D+00 -0.296840D-03 -0.653242D+01  0.143615D+01
                31            32            33            34            35 
      1  -0.213503D-01  0.548678D+00 -0.380389D+01  0.290854D-03  0.314491D+01
      2   0.132394D+00 -0.751707D-03 -0.732040D-02 -0.270124D+01  0.868938D-02
      3   0.446644D+01  0.160032D-01  0.234201D-01  0.733753D+00  0.974811D-02
                36            37            38            39            40 
      1   0.880516D-01 -0.763241D+01  0.743489D+01  0.740992D+01  0.808684D+01
      2  -0.127870D-01 -0.160678D+02 -0.689367D+01  0.648745D+01  0.159538D+01
      3  -0.388234D-03 -0.212904D+02 -0.234146D+01  0.114972D+02  0.131780D+02
                41            42            43            44            45 
      1   0.843076D+01 -0.186324D+01  0.100267D+02  0.722337D+01 -0.659909D+01
      2  -0.661955D+00 -0.933747D+01 -0.140214D+02 -0.143890D+02  0.154976D+02
      3   0.128806D+02 -0.490338D+01  0.517679D+01 -0.481261D+01  0.250988D+01
                46            47            48            49            50 
      1   0.565889D+01 -0.397058D+01  0.353205D+01 -0.258237D+01 -0.712962D+01
      2  -0.371016D+01  0.527779D+01 -0.280275D+01  0.324214D+01  0.504556D+01
      3  -0.474046D+01  0.177750D+01 -0.846959D+01  0.808396D+01 -0.250825D+01
                51            52            53            54            55 
      1  -0.686227D+01  0.248971D+01 -0.262113D+01  0.858852D+00 -0.483581D+00
      2   0.332283D+01 -0.497716D+01  0.364875D+01 -0.864761D+00 -0.109550D+01
      3  -0.370726D+01 -0.122390D+02 -0.132070D+01 -0.602164D+01  0.750484D+01
                56            57            58            59            60 
      1   0.734738D+01 -0.763237D+01  0.955833D+01  0.220181D+01 -0.312821D-02
      2  -0.324440D+01  0.462821D+01 -0.311792D+01  0.700893D+00  0.630945D+00
      3  -0.628923D+01  0.126456D+01 -0.348419D+00 -0.693820D+00 -0.890181D+01
                61            62            63            64            65 
      1  -0.666477D+01  0.199472D+01 -0.918230D+00  0.343213D+00  0.234495D+01
      2   0.275624D+00  0.486089D+00  0.329344D+00 -0.287313D+01  0.139764D+02
      3   0.531883D+01 -0.109947D+02  0.641737D+01  0.329109D+00 -0.258147D+02
                66            67            68            69            70 
      1   0.690709D+01 -0.356024D+01 -0.137161D+02  0.327687D+01  0.619026D+01
      2   0.999429D+01  0.880874D+01 -0.375961D+01 -0.471253D+01  0.115460D+01
      3  -0.102580D+02 -0.918225D+01  0.820057D+01  0.774109D+01 -0.638712D+01
                71            72            73            74            75 
      1   0.233189D+02  0.159521D+02  0.461109D+00 -0.679276D+01 -0.893806D+00
      2  -0.938366D+00  0.182797D+01  0.144231D+02  0.127564D+01 -0.419898D+01
      3   0.214796D+01 -0.238197D+01  0.736946D+01  0.487608D+01 -0.870981D+00
                76            77            78            79            80 
      1  -0.147653D+02  0.138229D+02 -0.829474D+01 -0.797623D+01  0.567573D+01
      2  -0.162095D+01  0.254275D+01  0.517631D+00 -0.199079D+02  0.726414D+01
      3   0.207770D+02 -0.152884D+02  0.745243D+01  0.220057D+01  0.267481D+01
                81            82            83            84            85 
      1  -0.114643D+02 -0.763694D+01 -0.745243D+01 -0.746319D+01 -0.814372D+01
      2  -0.192565D+02  0.159903D+02 -0.689979D+01  0.643465D+01  0.162833D+01
      3  -0.689797D+00  0.212029D+02 -0.228518D+01  0.115130D+02  0.132863D+02
                86            87            88            89            90 
      1   0.838109D+01 -0.191460D+01 -0.100180D+02  0.713479D+01 -0.655450D+01
      2   0.631794D+00  0.939522D+01 -0.140718D+02  0.143761D+02 -0.154718D+02
      3  -0.128616D+02  0.497022D+01  0.516775D+01  0.485205D+01 -0.251183D+01
                91            92            93            94            95 
      1   0.562143D+01  0.400861D+01 -0.346229D+01  0.262613D+01 -0.705531D+01
      2   0.370824D+01  0.533262D+01 -0.277159D+01  0.327316D+01 -0.500317D+01
      3   0.471661D+01  0.184279D+01 -0.849215D+01  0.810050D+01  0.254670D+01
                96            97            98            99           100 
      1  -0.688411D+01 -0.242936D+01 -0.265120D+01  0.836262D+00 -0.401910D+00
      2  -0.338371D+01 -0.494156D+01 -0.370966D+01  0.853856D+00  0.112965D+01
      3   0.364088D+01 -0.122309D+02  0.123193D+01  0.602098D+01 -0.745169D+01
               101           102           103           104           105 
      1  -0.738796D+01  0.756944D+01 -0.959405D+01  0.218261D+01  0.750259D-01
      2  -0.326885D+01  0.464908D+01 -0.315442D+01 -0.716112D+00 -0.612571D+00
      3  -0.636996D+01  0.121543D+01 -0.396255D+00  0.613402D+00  0.893177D+01
               106           107           108           109           110 
      1   0.660253D+01  0.206391D+01 -0.879542D+00  0.318981D+00 -0.234587D+01
      2   0.285784D+00 -0.477169D+00 -0.324450D+00  0.279919D+01  0.139568D+02
      3   0.524932D+01  0.110529D+02 -0.636829D+01 -0.214927D+00 -0.257674D+02
               111           112           113           114           115 
      1  -0.695131D+01  0.358987D+01 -0.137587D+02  0.319721D+01 -0.626264D+01
      2   0.994339D+01  0.882101D+01  0.380001D+01  0.476559D+01  0.112244D+01
      3  -0.102170D+02 -0.914647D+01 -0.832218D+01 -0.777999D+01 -0.636351D+01
               116           117           118           119           120 
      1   0.232935D+02  0.159728D+02 -0.428518D+01  0.111613D+01 -0.315791D+01
      2   0.101873D+01 -0.177940D+01  0.514749D+01 -0.114478D+01  0.550188D+01
      3  -0.217432D+01  0.236813D+01  0.117495D+02 -0.480346D+01  0.491802D+01
               121           122           123           124           125 
      1   0.154348D+01 -0.106487D+01  0.683834D+00 -0.430060D+01  0.230967D+01
      2  -0.189606D+01  0.138535D+01 -0.219912D+01  0.432712D+01 -0.649411D+00
      3  -0.376773D+01  0.720735D+01 -0.287040D+01  0.837826D+01 -0.516473D+01
               126           127           128           129           130 
      1  -0.602372D+01  0.159839D+01  0.109815D+01 -0.366759D+01  0.204833D+01
      2   0.706739D+01 -0.829105D+00 -0.131502D+01  0.370966D+01 -0.177321D+01
      3   0.490623D+01  0.468191D+01 -0.578717D+00 -0.813539D+00  0.114586D+01
               131           132           133           134           135 
      1   0.108187D+01 -0.420866D+01 -0.192357D+01  0.215427D+00  0.542820D+01
      2  -0.239576D+01  0.362443D+01  0.108361D+01  0.198814D+01 -0.494475D+01
      3  -0.549652D+01  0.712194D+00  0.902072D+00  0.376671D+01  0.273923D+00
               136           137           138           139           140 
      1   0.462907D+01 -0.335777D+01  0.517230D+01 -0.245785D+01  0.339787D+01
      2  -0.967126D+00  0.628269D+00  0.400981D+00  0.573618D+00 -0.659793D+00
      3  -0.123667D+02  0.333827D+01 -0.504544D+01  0.438212D+01 -0.665134D+01
               141           142           143           144           145 
      1  -0.402315D+01  0.434587D+01 -0.406479D+01  0.909536D+01 -0.440474D+00
      2   0.201522D+00 -0.230328D+01  0.507232D+00 -0.163099D+01 -0.398414D+00
      3   0.275370D+01 -0.864890D+01  0.462587D+01 -0.492422D+01  0.313692D+01
               146           147           148           149           150 
      1  -0.206296D+01 -0.196060D+01 -0.994804D+00 -0.386295D+01 -0.704669D+01
      2   0.144422D+00  0.943249D+00 -0.472965D+00  0.118867D+01  0.203213D+01
      3   0.344143D+01  0.878208D+00  0.527436D+01 -0.228208D+01 -0.371740D+00
               151           152           153           154           155 
      1  -0.459119D+00 -0.245541D+01 -0.681192D+01  0.458470D+01  0.337508D+01
      2  -0.144671D+01  0.454842D+00  0.212195D+01  0.965307D+00  0.639441D+00
      3   0.262423D+01  0.268176D+01 -0.381022D+00  0.123209D+02  0.339447D+01
               156           157           158           159           160 
      1  -0.514726D+01  0.247111D+01  0.342740D+01 -0.406343D+01 -0.430270D+01
      2   0.388997D+00  0.585462D+00  0.669503D+00 -0.216169D+00 -0.230171D+01
      3  -0.501449D+01  0.443339D+01  0.671115D+01 -0.277492D+01 -0.861383D+01
               161           162           163           164           165 
      1  -0.409845D+01  0.906822D+01 -0.462741D+00  0.207821D+01  0.200031D+01
      2  -0.534667D+00  0.165619D+01  0.401391D+00  0.156366D+00  0.963055D+00
      3  -0.466804D+01  0.490728D+01 -0.318454D+01  0.342539D+01  0.886127D+00
               166           167           168           169           170 
      1   0.102302D+01 -0.386392D+01 -0.703358D+01  0.490290D+00 -0.246780D+01
      2  -0.461860D+00 -0.120916D+01 -0.205654D+01 -0.144571D+01 -0.467493D+00
      3   0.524324D+01  0.230548D+01  0.366783D+00  0.264833D+01 -0.268328D+01
               171           172           173           174           175 
      1  -0.684368D+01 -0.425038D+01 -0.112808D+01  0.312612D+01 -0.155174D+01
      2  -0.216005D+01 -0.514715D+01 -0.117393D+01  0.549611D+01 -0.192202D+01
      3   0.365468D+00 -0.117327D+02 -0.485235D+01  0.491036D+01 -0.380968D+01
               176           177           178           179           180 
      1  -0.107933D+01  0.697201D+00  0.426061D+01  0.234080D+01 -0.598234D+01
      2  -0.141088D+01  0.223481D+01  0.432816D+01  0.689047D+00 -0.707116D+01
      3  -0.728078D+01  0.289851D+01  0.835340D+01  0.521207D+01 -0.490688D+01
               181           182           183           184           185 
      1   0.160146D+01 -0.109058D+01  0.366567D+01 -0.203686D+01  0.105420D+01
      2   0.840950D+00 -0.132265D+01  0.373321D+01 -0.178279D+01  0.237914D+01
      3  -0.469105D+01 -0.621362D+00 -0.807602D+00  0.110541D+01  0.549856D+01
               186           187           188           189           190 
      1  -0.418303D+01  0.191037D+01  0.230782D+00  0.540040D+01  0.443264D+01
      2  -0.362474D+01  0.108559D+01 -0.197040D+01  0.495211D+01 -0.320151D+01
      3  -0.709942D+00  0.910057D+00 -0.374519D+01 -0.275287D+00 -0.703879D+01
               191           192           193           194           195 
      1   0.412098D+01  0.318086D+01  0.388361D+01  0.580383D+01  0.179525D+01
      2  -0.956059D+00  0.785608D+00 -0.449647D+01  0.308213D+00 -0.204963D+00
      3  -0.600441D+01 -0.350084D+01 -0.576454D+01 -0.690526D+01 -0.311921D+01
               196           197           198           199           200 
      1   0.217781D+01  0.222982D+01  0.267855D+01  0.161409D+01 -0.195031D+01
      2   0.439766D+00  0.648633D+00  0.120002D+01  0.385831D-01  0.196613D+01
      3  -0.208995D+01 -0.587203D+00 -0.299847D+01 -0.172163D+01  0.225532D+01
               201           202           203           204           205 
      1  -0.650346D+00  0.506160D+00 -0.558585D+00 -0.857099D+00 -0.236889D-01
      2  -0.520859D+01  0.142130D+01  0.171569D+01 -0.288645D+01 -0.180376D+01
      3  -0.250716D+01  0.129170D+01  0.135881D+01 -0.184455D+01 -0.226565D+00
               206           207           208           209           210 
      1   0.170940D+01  0.401111D+01 -0.298331D+01  0.329017D+01 -0.202435D+01
      2  -0.268079D+01  0.114316D+02 -0.829747D+01 -0.318805D+01 -0.299288D+01
      3  -0.249149D+01  0.226840D+01  0.121574D+02  0.267573D+01  0.525480D+01
               211           212           213           214           215 
      1   0.136615D+00 -0.730990D+00 -0.167045D+01 -0.231710D+01 -0.404380D+00
      2  -0.179471D+01 -0.123760D+01 -0.116797D+01 -0.259688D+01 -0.548463D+00
      3   0.292016D+01  0.213875D+01  0.149324D+01  0.209907D+01  0.153859D+01
               216           217           218           219           220 
      1  -0.238440D+01 -0.216417D+01 -0.714996D+00  0.500702D+01 -0.220137D+00
      2  -0.178784D+01  0.189481D+01 -0.155366D+01 -0.141553D+01  0.705347D+00
      3   0.298508D+01 -0.231543D+01  0.960630D+00  0.288965D+01 -0.163137D-01
               221           222           223           224           225 
      1   0.159832D+00  0.244419D+01  0.208964D+01  0.387206D+00 -0.116280D+02
      2  -0.180062D+01 -0.119630D+01 -0.276243D+01  0.657495D+00  0.185477D+01
      3   0.257673D+01  0.118099D+01  0.239068D+01 -0.106566D+01 -0.234796D+01
               226           227           228           229           230 
      1   0.447260D-01 -0.871964D+00  0.561132D+00  0.188184D+01 -0.100136D+02
      2   0.123475D+01  0.687332D+00  0.139154D+01  0.305656D+01  0.681856D+00
      3   0.971546D+00  0.309304D+00 -0.213999D+00  0.172073D+01  0.121745D+02
               231           232           233           234           235 
      1  -0.212943D+00  0.186029D+01 -0.202549D+01 -0.993419D-02 -0.121888D+01
      2  -0.114180D+01  0.176305D+01 -0.176131D+01  0.818902D+00  0.190902D+01
      3  -0.135195D+01  0.813293D+00  0.201584D+01  0.664169D+00  0.163604D+01
               236           237           238           239           240 
      1   0.533723D+00 -0.161996D+01  0.697961D+00  0.141599D+00  0.146079D+01
      2   0.956992D+00 -0.209398D+01 -0.603603D+00  0.163480D+01  0.647567D+00
      3  -0.687648D+00 -0.380249D+00  0.351479D-01  0.564865D+00 -0.164388D+01
               241           242           243           244           245 
      1   0.148734D+01  0.832305D+00  0.693515D+01 -0.299504D+01 -0.327647D+01
      2  -0.195561D+01 -0.266848D+01  0.136962D+02  0.829146D+01 -0.318361D+01
      3  -0.248369D+01 -0.157964D+01  0.135621D+01 -0.121640D+02  0.264771D+01
               246           247           248           249           250 
      1   0.205030D+01 -0.135813D+00 -0.748619D+00 -0.166943D+01  0.233014D+01
      2  -0.298935D+01 -0.177209D+01  0.121458D+01  0.115267D+01 -0.259052D+01
      3   0.526286D+01  0.288607D+01 -0.212449D+01 -0.147816D+01  0.210812D+01
               251           252           253           254           255 
      1  -0.398054D+00 -0.239530D+01 -0.216698D+01  0.711657D+00 -0.502456D+01
      2   0.545135D+00  0.178255D+01 -0.190770D+01 -0.156756D+01 -0.143801D+01
      3  -0.154154D+01 -0.299380D+01  0.232317D+01  0.982431D+00  0.290282D+01
               256           257           258           259           260 
      1   0.208385D+00  0.142017D+00  0.240671D+01 -0.209145D+01  0.368736D+00
      2   0.689997D+00  0.179843D+01  0.119667D+01 -0.277101D+01 -0.670217D+00
      3  -0.919894D-03 -0.256752D+01 -0.117026D+01  0.239316D+01  0.107744D+01
               261           262           263           264           265 
      1  -0.116182D+02  0.444981D+01 -0.412824D+01 -0.316853D+01 -0.386844D+01
      2  -0.189879D+01  0.324633D+01 -0.972998D+00  0.778576D+00 -0.451336D+01
      3   0.236026D+01  0.709758D+01 -0.603638D+01 -0.349515D+01 -0.578056D+01
               266           267           268           269           270 
      1   0.579292D+01  0.176214D+01 -0.216738D+01  0.220775D+01  0.265451D+01
      2  -0.282193D+00  0.209354D+00  0.450230D+00 -0.640205D+00 -0.118580D+01
      3   0.690951D+01  0.308385D+01 -0.207138D+01  0.559025D+00  0.298061D+01
               271           272           273           274           275 
      1   0.159658D+01  0.194006D+01  0.670494D+00 -0.505041D+00 -0.541219D+00
      2  -0.260000D-01  0.197115D+01 -0.520598D+01  0.141992D+01 -0.169592D+01
      3   0.171928D+01  0.225467D+01 -0.249787D+01  0.129583D+01 -0.133381D+01
               276           277           278           279           280 
      1  -0.858636D+00  0.224693D-01  0.170964D+01  0.406240D+01  0.700715D+00
      2   0.284478D+01 -0.179245D+01  0.266992D+01 -0.114530D+02  0.399517D+01
      3   0.182790D+01 -0.225116D+00  0.249271D+01 -0.225203D+01 -0.268700D+01
               281           282           283           284           285 
      1   0.680750D-01  0.152934D+00  0.122423D+01  0.526120D+01  0.508110D+00
      2  -0.524752D+00  0.353119D+00 -0.776855D+00  0.610861D+01  0.838022D+01
      3  -0.942288D+00 -0.453293D+00 -0.105905D+01 -0.159561D+02 -0.738425D+01
               286           287           288           289           290 
      1   0.107089D+00  0.309150D+01  0.115832D+01 -0.129492D+01  0.162866D+01
      2  -0.602587D+00  0.510081D+01  0.629832D+01 -0.105225D+01 -0.259718D+00
      3  -0.969576D+00 -0.578892D+01 -0.571015D+01  0.456687D+01 -0.664763D+01
               291           292           293           294           295 
      1  -0.453394D-01  0.162886D+01 -0.141465D+01 -0.118109D+00 -0.109346D+00
      2   0.607135D+01  0.393655D+01  0.126565D+01 -0.153917D+01  0.252616D+01
      3   0.204131D+01 -0.315103D+01  0.476418D+01 -0.345900D+01  0.179051D-01
               296           297           298           299           300 
      1   0.138186D+01  0.169132D-01 -0.128893D+01 -0.162278D+01  0.189759D-01
      2  -0.155740D+01  0.290091D+01  0.103189D+01 -0.255487D+00  0.606362D+01
      3  -0.324828D+01  0.105320D+01 -0.455540D+01 -0.666168D+01  0.202604D+01
               301           302           303           304           305 
      1  -0.164916D+01 -0.142233D+01 -0.129984D+00  0.993182D-01  0.136985D+01
      2   0.395509D+01 -0.125062D+01  0.156782D+01  0.252407D+01  0.157213D+01
      3  -0.317198D+01 -0.482355D+01  0.346346D+01  0.105267D-01  0.324123D+01
               306           307           308           309           310 
      1   0.254976D-01  0.716954D+00 -0.948221D-01 -0.158170D+00 -0.124614D+01
      2  -0.287712D+01 -0.398649D+01 -0.503448D+00  0.399693D+00 -0.751921D+00
      3  -0.105597D+01  0.269123D+01 -0.102393D+01 -0.495107D+00 -0.115066D+01
               311           312           313           314           315 
      1   0.526085D+01  0.524962D+00 -0.122541D+00  0.310145D+01  0.117189D+01
      2  -0.608108D+01 -0.837641D+01 -0.567265D+00 -0.508474D+01 -0.629318D+01
      3   0.159511D+02  0.737667D+01 -0.100332D+01  0.578585D+01  0.570604D+01
               316           317           318           319           320 
      1  -0.120540D+01 -0.542791D+00  0.161472D+01 -0.708760D+00  0.147947D+00
      2  -0.190601D+01  0.943637D+00 -0.207231D+01 -0.612621D+00 -0.162979D+01
      3  -0.163904D+01 -0.699216D+00 -0.374524D+00  0.178165D-01 -0.559034D+00
               321           322           323           324           325 
      1   0.148517D+01 -0.148940D+01  0.822724D+00  0.699180D+01  0.656670D-01
      2  -0.677429D+00 -0.195662D+01  0.264339D+01 -0.136754D+02 -0.125981D+01
      3   0.164634D+01 -0.249126D+01  0.156369D+01 -0.132857D+01 -0.964274D+00
               326           327           328           329           330 
      1   0.908448D+00 -0.563999D+00 -0.186711D+01 -0.100096D+02 -0.199339D+00
      2   0.686359D+00  0.138657D+01  0.305314D+01 -0.721871D+00  0.115022D+01
      3   0.354178D+00 -0.227109D+00  0.173623D+01 -0.121662D+02  0.137861D+01
               331           332           333 
      1  -0.185428D+01 -0.201889D+01 -0.899155D-02
      2   0.174648D+01  0.176207D+01 -0.826013D+00
      3   0.806598D+00 -0.199026D+01 -0.665923D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236110D+02  0.250638D+02 -0.211786D+02  0.298142D+02 -0.314370D+01
      2   0.152148D+02 -0.145115D+02  0.105981D+02 -0.171958D+02  0.319361D+01
      3   0.839617D+01 -0.105523D+02  0.105805D+02 -0.126184D+02 -0.499074D-01
      4   0.222537D+02 -0.658212D+01  0.397526D+01 -0.817362D+01 -0.111500D+02
      5  -0.208109D+02  0.536307D+01 -0.705857D+01  0.912544D+01 -0.178835D+02
      6   0.707977D+01 -0.703850D+00 -0.665011D+00 -0.431507D+01 -0.479776D+01
                 6             7             8             9            10 
      1   0.706947D+01 -0.148755D+02  0.510941D+01 -0.371542D+01 -0.232568D+02
      2  -0.426039D+01  0.649089D+01 -0.328818D+01 -0.178320D+00  0.149061D+02
      3  -0.280908D+01  0.838462D+01 -0.182122D+01  0.389374D+01  0.835068D+01
      4  -0.155245D+02  0.427186D+01 -0.131468D+02 -0.317340D+01 -0.223670D+02
      5  -0.548694D+01 -0.676451D+01 -0.330601D+01  0.174510D+01  0.206655D+02
      6  -0.586583D+01  0.362466D-01 -0.523406D+01 -0.166755D+01  0.710647D+01
                11            12            13            14            15 
      1  -0.250949D+02  0.211076D+02 -0.298907D+02 -0.356548D+01  0.695424D+01
      2   0.144892D+02 -0.105183D+02  0.172013D+02  0.344292D+01 -0.415751D+01
      3   0.106057D+02 -0.105894D+02  0.126894D+02  0.122560D+00 -0.279673D+01
      4  -0.693072D+01  0.397822D+01 -0.858507D+01  0.110729D+02  0.155909D+02
      5   0.528964D+01 -0.698582D+01  0.904188D+01  0.179697D+02  0.550364D+01
      6   0.779091D+00  0.689933D+00  0.441537D+01 -0.469889D+01 -0.581887D+01
                16            17            18            19            20 
      1   0.147808D+02  0.498278D+01 -0.365582D+01  0.180848D+02  0.130230D+02
      2  -0.640301D+01 -0.317585D+01 -0.191051D+00 -0.180050D+02 -0.953436D+01
      3  -0.837778D+01 -0.180693D+01  0.384687D+01 -0.797956D-01 -0.348861D+01
      4   0.423956D+01  0.131992D+02  0.317766D+01  0.457926D+01 -0.814032D+00
      5  -0.671486D+01  0.332246D+01 -0.176594D+01 -0.115530D+02 -0.314035D+01
      6  -0.959211D-02 -0.521363D+01 -0.166298D+01 -0.721075D+01  0.124017D+01
                21            22            23            24            25 
      1  -0.127327D+02  0.510285D+01  0.337485D+01  0.187026D+01 -0.497166D+01
      2   0.115618D+02 -0.396400D+01 -0.950271D+01  0.250375D+00  0.538518D+01
      3   0.117093D+01 -0.113886D+01  0.612786D+01 -0.212064D+01 -0.413511D+00
      4  -0.870186D+00 -0.534999D+00 -0.120326D+02 -0.139544D+01 -0.911164D+00
      5   0.688514D+01 -0.157873D+01 -0.255139D+01  0.168151D+01  0.519979D+01
      6   0.152302D+01  0.420861D-01  0.453426D+01  0.300082D+01  0.251101D+00
                26            27            28            29            30 
      1  -0.289106D+00  0.105052D+02 -0.974527D+01 -0.446473D-02  0.215809D-01
      2  -0.565294D+00  0.441920D+01  0.169484D+01 -0.618846D-03 -0.259695D-01
      3   0.854399D+00 -0.149244D+02  0.805043D+01  0.508358D-02  0.438864D-02
      4   0.446119D+00 -0.155082D+01  0.140582D-02 -0.497687D+01 -0.480639D+01
      5  -0.153085D+00  0.710784D+01  0.192602D-01 -0.281496D+01 -0.147156D+01
      6   0.289493D+01  0.269798D+01 -0.254241D+01 -0.555593D-02  0.587857D-02
                31            32            33            34            35 
      1  -0.129814D-01  0.142096D+01 -0.492008D+01  0.159311D-01 -0.744499D+01
      2   0.115161D-01 -0.884756D+01  0.626081D+01 -0.211442D-01  0.808327D+01
      3   0.146537D-02  0.742660D+01 -0.134073D+01  0.521320D-02 -0.638276D+00
      4  -0.636727D+01  0.410922D-02 -0.234139D-01 -0.773330D+01 -0.142534D-01
      5  -0.246001D+01 -0.669119D-02 -0.685270D-02  0.485992D+01 -0.391821D-02
      6  -0.499741D-02  0.331907D+01 -0.113357D+01  0.830194D-02  0.360538D+01
                36            37            38            39            40 
      1  -0.458688D+00 -0.786781D+01  0.153502D+01  0.101849D+02  0.214049D+00
      2  -0.660050D+00  0.121998D+02 -0.335168D+01 -0.755887D+01  0.170713D+01
      3   0.111874D+01 -0.433203D+01  0.181666D+01 -0.262606D+01 -0.192118D+01
      4  -0.449221D-02  0.119262D+02  0.674860D+01 -0.810389D+01  0.111961D+02
      5   0.143980D-01  0.264413D+01 -0.110652D+02  0.215623D+01 -0.107220D+02
      6  -0.700115D+00 -0.381152D+01 -0.514776D+01  0.634643D+01 -0.435905D+01
                41            42            43            44            45 
      1  -0.612490D+01 -0.486824D+01  0.864982D+01 -0.510746D+01  0.619602D+01
      2   0.551783D+01 -0.484116D+01 -0.409086D+01 -0.799088D+00  0.261404D+01
      3   0.607070D+00  0.970940D+01 -0.455896D+01  0.590654D+01 -0.881006D+01
      4   0.989135D+01 -0.967396D+01 -0.235901D+01 -0.566467D+01  0.281839D+01
      5  -0.473646D+01  0.340630D+01  0.153188D+01  0.109596D+01  0.157220D+01
      6  -0.330691D+01  0.582214D+00  0.442591D+01 -0.278792D+00  0.657946D+01
                46            47            48            49            50 
      1  -0.826064D+01  0.222608D+01 -0.129581D+02  0.272565D+01 -0.170526D+01
      2   0.239829D+01 -0.328901D+01  0.171010D+02 -0.763837D+01  0.478091D+00
      3   0.586235D+01  0.106292D+01 -0.414291D+01  0.491272D+01  0.122717D+01
      4  -0.136536D+02 -0.835407D+01  0.867052D+01 -0.149685D+02 -0.118744D+02
      5  -0.324523D+01  0.128240D+02 -0.889060D+01  0.136023D+02  0.127577D+02
      6   0.224082D+01  0.146539D+02 -0.100187D+02  0.149304D+02  0.125474D+02
                51            52            53            54            55 
      1   0.550959D+01 -0.154569D+02  0.652507D+01 -0.917723D+01  0.499257D+01
      2   0.762784D+01  0.191382D+02  0.519905D+01  0.469064D+01 -0.490470D+01
      3  -0.131374D+02 -0.368130D+01 -0.117241D+02  0.448659D+01 -0.878611D-01
      4   0.200431D+02  0.122312D+02  0.235594D+02 -0.109937D+02  0.391607D+01
      5  -0.186527D+01 -0.126540D+02 -0.386363D+01  0.116361D+01  0.979361D+00
      6  -0.492217D+01 -0.121654D+02 -0.497050D+01  0.233679D+01  0.434991D+01
                56            57            58            59            60 
      1   0.423988D+01  0.996108D+01  0.168354D+01  0.173107D+02  0.354880D+01
      2  -0.689808D+01 -0.189162D+02 -0.564962D+00 -0.261789D+02 -0.144238D+02
      3   0.265821D+01  0.895510D+01 -0.111858D+01  0.886813D+01  0.108750D+02
      4  -0.879592D+01 -0.705273D-02 -0.360658D+01 -0.121007D+02 -0.201202D+02
      5  -0.296757D+01 -0.591525D+00 -0.329116D+01 -0.905826D+01 -0.433944D+01
      6  -0.176556D+02  0.393017D+01 -0.169543D+02 -0.196951D+02 -0.115317D+02
                61            62            63            64            65 
      1   0.128732D+02  0.775868D+01  0.102252D+02  0.197701D+01 -0.568644D+01
      2  -0.206706D+02 -0.178346D+02 -0.140226D+02 -0.106263D+01  0.585814D+01
      3   0.779742D+01  0.100759D+02  0.379740D+01 -0.914381D+00 -0.171700D+00
      4   0.159682D+01 -0.233522D+02  0.169430D+01  0.758087D+01  0.200182D+01
      5   0.221373D-01 -0.376661D+01 -0.133944D+01  0.285522D+01 -0.275900D+01
      6   0.449907D+01 -0.159848D+02 -0.103087D+01 -0.645332D+01  0.807309D+01
                66            67            68            69            70 
      1  -0.993386D+00 -0.529915D+01 -0.109452D+02 -0.458450D+01 -0.213866D+01
      2   0.105754D+02  0.209084D+01  0.137032D+02  0.723735D+01  0.955787D+01
      3  -0.958203D+01  0.320831D+01 -0.275797D+01 -0.265285D+01 -0.741921D+01
      4  -0.239307D+01 -0.248527D+01  0.165477D+02  0.117708D+02 -0.277594D+01
      5  -0.353799D+01 -0.174754D+01  0.157251D+01  0.258768D+01 -0.235548D+01
      6  -0.124940D+00  0.870221D+01  0.116383D+02  0.554063D+01 -0.156625D+01
                71            72            73            74            75 
      1  -0.197865D+01  0.950967D+00  0.181552D+02 -0.129708D+02  0.126968D+02
      2   0.876518D+00  0.653273D+01 -0.180448D+02  0.951455D+01 -0.115659D+02
      3   0.110213D+01 -0.748370D+01 -0.110419D+00  0.345623D+01 -0.113091D+01
      4   0.559176D+01 -0.874505D+00 -0.441788D+01 -0.977611D+00 -0.791028D+00
      5   0.182736D+01 -0.531726D+01  0.115902D+02 -0.312588D+01  0.692735D+01
      6   0.328937D+01 -0.461574D+01 -0.715420D+01 -0.129647D+01 -0.152717D+01
                76            77            78            79            80 
      1  -0.503394D+01  0.317916D+01  0.188985D+01  0.496818D+01 -0.303996D+00
      2   0.391881D+01 -0.935464D+01  0.165366D+00 -0.539594D+01 -0.624220D+00
      3   0.111513D+01  0.617548D+01 -0.205522D+01  0.427762D+00  0.928216D+00
      4  -0.653434D+00  0.120735D+02  0.141390D+01 -0.879015D+00 -0.432370D+00
      5  -0.154288D+01  0.253111D+01 -0.163009D+01  0.522041D+01  0.188140D+00
      6  -0.995579D-01  0.450679D+01  0.298828D+01 -0.252342D+00  0.288083D+01
                81            82            83            84            85 
      1   0.105567D+02 -0.773304D+01 -0.152910D+01 -0.101525D+02 -0.240787D+00
      2   0.439346D+01  0.121005D+02  0.341465D+01  0.757644D+01 -0.159731D+01
      3  -0.149501D+02 -0.436742D+01 -0.188555D+01  0.257601D+01  0.183810D+01
      4   0.159349D+01 -0.120561D+02  0.675860D+01 -0.821943D+01  0.112029D+02
      5  -0.709372D+01 -0.257660D+01 -0.111272D+02  0.213351D+01 -0.107714D+02
      6   0.272765D+01 -0.384737D+01  0.515415D+01 -0.636942D+01  0.434734D+01
                86            87            88            89            90 
      1  -0.604849D+01 -0.499868D+01 -0.865374D+01 -0.521625D+01  0.616385D+01
      2   0.548179D+01 -0.473151D+01  0.411461D+01 -0.710537D+00  0.256079D+01
      3   0.566704D+00  0.973019D+01  0.453913D+01  0.592678D+01 -0.872464D+01
      4  -0.990668D+01  0.965784D+01 -0.242996D+01  0.564608D+01 -0.280582D+01
      5   0.465777D+01 -0.343191D+01  0.149412D+01 -0.111459D+01 -0.157873D+01
      6  -0.326598D+01  0.512158D+00 -0.444729D+01 -0.321743D+00  0.656218D+01
                91            92            93            94            95 
      1  -0.836478D+01 -0.226410D+01  0.128713D+02 -0.268455D+01 -0.183642D+01
      2   0.246530D+01  0.332582D+01 -0.170978D+02  0.758626D+01  0.570193D+00
      3   0.589947D+01 -0.106172D+01  0.422646D+01 -0.490171D+01  0.126623D+01
      4   0.136814D+02 -0.839975D+01  0.889693D+01 -0.150265D+02  0.118753D+02
      5   0.313014D+01  0.129648D+02 -0.888560D+01  0.137355D+02 -0.126936D+02
      6   0.237933D+01 -0.146761D+02  0.995375D+01 -0.149378D+02  0.123978D+02
                96            97            98            99           100 
      1   0.573925D+01  0.153477D+02  0.679534D+01 -0.921630D+01  0.505811D+01
      2   0.740456D+01 -0.190863D+02  0.492626D+01  0.477407D+01 -0.499008D+01
      3  -0.131438D+02  0.373870D+01 -0.117216D+02  0.444223D+01 -0.680272D-01
      4  -0.200318D+02  0.124759D+02 -0.235104D+02  0.108675D+02 -0.380762D+01
      5   0.183373D+01 -0.126530D+02  0.379600D+01 -0.118697D+01 -0.968810D+00
      6  -0.484039D+01  0.120739D+02 -0.487260D+01  0.234400D+01  0.417541D+01
               101           102           103           104           105 
      1  -0.416221D+01 -0.999119D+01 -0.163920D+01  0.171181D+02  0.331529D+01
      2   0.679654D+01  0.190111D+02  0.498753D+00 -0.258717D+02 -0.140980D+02
      3  -0.263433D+01 -0.901987D+01  0.114044D+01  0.875358D+01  0.107827D+02
      4  -0.894469D+01 -0.238766D+00 -0.368391D+01  0.120880D+02  0.202021D+02
      5  -0.309195D+01 -0.622640D+00 -0.340587D+01  0.910455D+01  0.441333D+01
      6   0.177889D+02 -0.379221D+01  0.170585D+02 -0.194636D+02 -0.115965D+02
               106           107           108           109           110 
      1  -0.129325D+02  0.750445D+01  0.102485D+02  0.197268D+01  0.570847D+01
      2   0.207860D+02 -0.175055D+02 -0.140949D+02 -0.109240D+01 -0.586069D+01
      3  -0.785340D+01  0.100010D+02  0.384637D+01 -0.880280D+00  0.152220D+00
      4   0.133218D+01  0.234963D+02 -0.149746D+01 -0.755974D+01  0.208164D+01
      5   0.297489D-02  0.388023D+01  0.136837D+01 -0.283230D+01 -0.272542D+01
      6  -0.433145D+01 -0.160800D+02 -0.111080D+01 -0.637667D+01 -0.815684D+01
               111           112           113           114           115 
      1   0.102165D+01  0.535302D+01 -0.107346D+02 -0.448977D+01  0.216993D+01
      2  -0.106059D+02 -0.213741D+01  0.134667D+02  0.706661D+01 -0.957919D+01
      3   0.958421D+01 -0.321561D+01 -0.273206D+01 -0.257684D+01  0.740926D+01
      4  -0.228079D+01 -0.242720D+01 -0.166161D+02 -0.118123D+02 -0.269307D+01
      5  -0.350514D+01 -0.171878D+01 -0.161923D+01 -0.262451D+01 -0.233451D+01
      6   0.612504D-01 -0.876944D+01  0.115683D+02  0.556147D+01  0.151547D+01
               116           117           118           119           120 
      1  -0.193897D+01  0.944207D+00  0.317021D+02 -0.234765D+01  0.996831D+01
      2   0.784021D+00  0.658143D+01 -0.179686D+02  0.531361D+01 -0.717750D+01
      3   0.115494D+01 -0.752564D+01 -0.137335D+02 -0.296596D+01 -0.279081D+01
      4  -0.563288D+01  0.817842D+00  0.163569D+02  0.782852D+01  0.301415D+01
      5  -0.185617D+01  0.532009D+01  0.102022D+02 -0.177121D+01  0.961152D+01
      6   0.332541D+01 -0.456438D+01  0.488842D+01 -0.631214D+00  0.547644D+01
               121           122           123           124           125 
      1  -0.854028D+01  0.619056D+01 -0.396471D+01  0.173710D+02 -0.301520D+01
      2   0.745341D+01 -0.573684D+01  0.255658D+01 -0.127092D+02  0.480435D+01
      3   0.108687D+01 -0.453714D+00  0.140814D+01 -0.466180D+01 -0.178916D+01
      4   0.345998D+01 -0.554703D+00  0.197098D+00  0.784820D+01  0.274932D+01
      5  -0.321132D+01  0.241490D+01 -0.229180D+01  0.132243D+02  0.163588D+00
      6  -0.157760D+01  0.511039D+00  0.289912D+00  0.757388D+01  0.208546D+01
               126           127           128           129           130 
      1   0.894317D+01  0.146081D+02  0.654480D+01 -0.367373D+01  0.267242D+01
      2  -0.772309D+01 -0.278790D+00  0.483134D+01 -0.822339D+00  0.104176D+02
      3  -0.122008D+01 -0.143293D+02 -0.113761D+02  0.449607D+01 -0.130900D+02
      4   0.552143D+01  0.286583D+02  0.232760D+02 -0.123300D+02  0.258192D+02
      5   0.124056D+02 -0.111065D+02 -0.915896D+01  0.101288D+02 -0.885590D+01
      6   0.783273D+01 -0.107926D+02 -0.933340D+01  0.840715D+01 -0.117246D+02
               131           132           133           134           135 
      1  -0.632706D+01  0.142470D+01 -0.268405D+01  0.170182D+01 -0.464051D-01
      2   0.236984D+02 -0.715614D+01 -0.316215D+01 -0.841595D+01  0.204699D+01
      3  -0.173714D+02  0.573144D+01  0.584619D+01  0.671413D+01 -0.200059D+01
      4   0.322453D+02 -0.143051D+02 -0.194452D+02 -0.199066D+02  0.166434D+02
      5  -0.111004D+02  0.802529D+01  0.147301D+02  0.118871D+02 -0.145491D+02
      6  -0.167630D+02  0.126127D+02  0.142958D+02  0.165088D+02 -0.171919D+02
               136           137           138           139           140 
      1  -0.526043D+01  0.882420D+01 -0.361995D+01  0.477188D+01 -0.160094D+02
      2   0.798505D+01 -0.158992D+02  0.602695D+01 -0.787331D+01  0.265811D+02
      3  -0.272462D+01  0.707497D+01 -0.240701D+01  0.310143D+01 -0.105718D+02
      4  -0.147668D+02  0.821984D+01 -0.582504D+01  0.655485D+01 -0.455176D+01
      5   0.155593D+01 -0.325304D+00  0.143458D+01 -0.395652D+00  0.898162D+00
      6  -0.721657D+01  0.652234D+01 -0.759440D+01  0.441837D+01 -0.682059D+01
               141           142           143           144           145 
      1   0.439739D+01 -0.646299D+01  0.101155D+02 -0.853180D+01 -0.178445D+01
      2  -0.586805D+01  0.700600D+01 -0.144445D+02  0.913733D+01  0.810211D+01
      3   0.147066D+01 -0.543018D+00  0.432900D+01 -0.605526D+00 -0.631766D+01
      4   0.375142D+01 -0.885902D+01  0.577627D+01 -0.487457D+01  0.118987D+02
      5   0.427334D+00  0.187356D+01  0.493530D+00 -0.269043D+00  0.331959D+01
      6   0.840386D+01 -0.686369D+01  0.138909D+02 -0.152581D+02  0.542475D+01
               146           147           148           149           150 
      1  -0.262988D+01 -0.179063D+01 -0.361204D+01 -0.326294D+02 -0.112163D+02
      2   0.113975D+02  0.450861D+01  0.106362D+02  0.603753D+02  0.182758D+02
      3  -0.876762D+01 -0.271798D+01 -0.702414D+01 -0.277459D+02 -0.705952D+01
      4   0.189464D+02  0.642767D+01  0.135110D+02  0.255997D+02  0.924129D+01
      5   0.520796D+01  0.452473D+01  0.310815D+01  0.873283D+01  0.503228D+01
      6   0.786706D+01  0.460402D+01  0.695793D+01  0.261086D+02  0.170222D+02
               151           152           153           154           155 
      1  -0.289846D+01 -0.172570D+02 -0.122221D+02 -0.534124D+01 -0.887594D+01
      2   0.583118D+01  0.263934D+02  0.148681D+02  0.805585D+01  0.159560D+02
      3  -0.293273D+01 -0.913634D+01 -0.264595D+01 -0.271461D+01 -0.708004D+01
      4   0.703766D+01  0.151919D+02  0.862003D+01  0.146524D+02  0.820262D+01
      5   0.440043D+01  0.790193D+01  0.689256D+01 -0.150945D+01 -0.300147D+00
      6   0.566925D+01  0.253848D+02  0.195448D+02 -0.715458D+01 -0.652052D+01
               156           157           158           159           160 
      1   0.364260D+01 -0.480602D+01 -0.161714D+02  0.444524D+01  0.649092D+01
      2  -0.605720D+01  0.789437D+01  0.268497D+02 -0.594432D+01 -0.703435D+01
      3   0.241460D+01 -0.308834D+01 -0.106783D+02  0.149908D+01  0.543430D+00
      4  -0.575364D+01  0.657664D+01  0.447420D+01 -0.373540D+01 -0.876427D+01
      5   0.140076D+01 -0.377138D+00 -0.869080D+00 -0.462411D+00  0.184081D+01
      6   0.754170D+01 -0.442209D+01 -0.687803D+01  0.845224D+01  0.678792D+01
               161           162           163           164           165 
      1   0.102044D+02 -0.855806D+01 -0.171104D+01  0.261018D+01  0.179462D+01
      2  -0.145730D+02  0.920172D+01  0.808130D+01 -0.114503D+02 -0.454910D+01
      3   0.436861D+01 -0.643658D+00 -0.637026D+01  0.884010D+01  0.275447D+01
      4  -0.571908D+01  0.478175D+01 -0.120885D+02  0.190604D+02  0.652483D+01
      5  -0.546952D+00  0.330040D+00 -0.339940D+01  0.528763D+01  0.459110D+01
      6   0.139240D+02 -0.152067D+02  0.550404D+01 -0.797256D+01 -0.469792D+01
               166           167           168           169           170 
      1   0.361923D+01 -0.322887D+02 -0.111430D+02  0.291873D+01 -0.171448D+02
      2  -0.107037D+02  0.598316D+02  0.181757D+02 -0.588941D+01  0.262483D+02
      3   0.708450D+01 -0.275429D+02 -0.703269D+01  0.297068D+01 -0.910349D+01
      4   0.136058D+02 -0.257695D+02 -0.935247D+01  0.716567D+01 -0.153756D+02
      5   0.317105D+01 -0.881887D+01 -0.509777D+01  0.447892D+01 -0.801748D+01
      6  -0.705230D+01  0.260445D+02  0.170226D+02 -0.579401D+01  0.253947D+02
               171           172           173           174           175 
      1  -0.121861D+02  0.317942D+02  0.242881D+01 -0.996094D+01  0.865190D+01
      2   0.148042D+02 -0.180621D+02 -0.533156D+01  0.718794D+01 -0.749888D+01
      3  -0.261815D+01 -0.137321D+02  0.290274D+01  0.277300D+01 -0.115301D+01
      4  -0.877016D+01 -0.161760D+02  0.778720D+01  0.292585D+01  0.344450D+01
      5  -0.701417D+01 -0.101803D+02 -0.182118D+01  0.960627D+01 -0.325455D+01
      6   0.196239D+02  0.482548D+01  0.648685D+00 -0.542552D+01  0.159257D+01
               176           177           178           179           180 
      1   0.625518D+01 -0.400549D+01 -0.173923D+02 -0.307914D+01  0.896866D+01
      2  -0.581163D+01  0.257935D+01  0.127443D+02  0.483841D+01 -0.775644D+01
      3  -0.443551D+00  0.142613D+01  0.464807D+01 -0.175927D+01 -0.121222D+01
      4   0.671521D+00 -0.203317D+00  0.769677D+01 -0.273245D+01 -0.542478D+01
      5  -0.243938D+01  0.233854D+01  0.132244D+02 -0.962855D-01 -0.123963D+02
      6   0.498686D+00  0.264723D+00 -0.750556D+01  0.204414D+01  0.775452D+01
               181           182           183           184           185 
      1   0.148595D+02 -0.663559D+01  0.375354D+01 -0.278221D+01 -0.612748D+01
      2  -0.416122D+00 -0.477621D+01  0.769658D+00 -0.103448D+02  0.234551D+02
      3  -0.144434D+02  0.114118D+02 -0.452320D+01  0.131270D+02 -0.173276D+02
      4  -0.288073D+02  0.233181D+02 -0.123745D+02  0.258937D+02 -0.322272D+02
      5   0.112004D+02 -0.919485D+01  0.101741D+02 -0.889943D+01  0.110896D+02
      6  -0.108259D+02  0.932565D+01 -0.840656D+01  0.117132D+02 -0.166403D+02
               186           187           188           189           190 
      1   0.132596D+01  0.281171D+01  0.155631D+01  0.718900D-01  0.200941D+02
      2  -0.704733D+01  0.306171D+01 -0.825532D+01  0.193906D+01 -0.163790D+02
      3   0.572138D+01 -0.587341D+01  0.669901D+01 -0.201095D+01 -0.371503D+01
      4   0.142883D+02 -0.195052D+02  0.198632D+02 -0.166318D+02  0.825349D+00
      5  -0.802838D+01  0.148005D+02 -0.118812D+02  0.145823D+02  0.155032D+02
      6   0.125449D+02 -0.142816D+02  0.164019D+02 -0.171087D+02  0.575842D+00
               191           192           193           194           195 
      1   0.488262D+01  0.758120D+01  0.791280D+01  0.513130D+01  0.367757D+01
      2  -0.664616D+01 -0.939423D+01 -0.871417D+01 -0.574873D+01 -0.628350D+01
      3   0.176354D+01  0.181303D+01  0.801371D+00  0.617427D+00  0.260593D+01
      4   0.661717D+01  0.134738D+01  0.110556D+01  0.740267D+01  0.541427D+00
      5   0.396452D+01  0.107750D+02  0.107145D+02  0.256641D+01  0.765169D+01
      6   0.145126D+01 -0.723979D+00  0.104564D+01  0.249679D+01  0.519798D+00
               196           197           198           199           200 
      1   0.331914D+01  0.124623D+01  0.178307D+01 -0.214609D+01 -0.243406D+01
      2  -0.658252D+01 -0.202158D+01 -0.778525D+01 -0.173067D+01  0.150870D+01
      3   0.326338D+01  0.775358D+00  0.600219D+01  0.387677D+01  0.925360D+00
      4   0.270431D+01  0.413159D+00  0.201477D+01  0.605374D+01 -0.280969D+01
      5   0.776876D+01  0.346698D+01  0.862129D+01 -0.239874D+01  0.200342D+01
      6   0.362368D+00  0.155050D+01 -0.797390D+00  0.234281D-01 -0.316461D+01
               201           202           203           204           205 
      1   0.697582D+01 -0.458597D+00 -0.498925D+01  0.612183D+01  0.254077D+01
      2   0.124745D+01 -0.418162D+00  0.212046D+01 -0.834496D+00 -0.162901D+01
      3  -0.822327D+01  0.876759D+00  0.286879D+01 -0.528734D+01 -0.911756D+00
      4   0.286927D+00  0.166737D+01 -0.182020D+01  0.557974D+00 -0.337599D+01
      5  -0.272101D+00  0.102020D+00  0.111310D+01 -0.193848D+01  0.471434D+01
      6   0.579384D+01 -0.264115D+00 -0.586783D+01  0.875540D+01 -0.648536D+00
               206           207           208           209           210 
      1   0.549722D+01 -0.176559D+02 -0.456994D-01 -0.790713D+01 -0.459685D+01
      2  -0.387314D+00 -0.112000D+02 -0.348102D+00  0.100152D+02  0.186955D+01
      3  -0.510991D+01  0.288559D+02  0.393801D+00 -0.210802D+01  0.272729D+01
      4   0.333012D+01  0.428994D+00  0.168589D+02  0.755763D+01  0.799202D+01
      5  -0.228714D+01  0.111847D+02  0.871253D+01  0.557352D+01  0.558374D+01
      6   0.741086D+01 -0.169925D+02  0.898479D+01  0.110914D+02  0.101505D+02
               211           212           213           214           215 
      1  -0.212178D+01 -0.333801D+01 -0.194201D+01 -0.157387D+01 -0.148914D+01
      2   0.286306D+01  0.708783D+01  0.156663D+01 -0.648483D+00 -0.113396D+01
      3  -0.741274D+00 -0.374982D+01  0.375386D+00  0.222235D+01  0.262311D+01
      4   0.778381D+01  0.733205D+01  0.472357D+01  0.420861D+01  0.387038D+01
      5   0.284753D+01  0.300606D+01  0.219735D+01  0.454871D+01  0.213286D+01
      6   0.523909D+01  0.520517D+01  0.545080D+01  0.521597D+01  0.490837D+01
               216           217           218           219           220 
      1  -0.399186D+01 -0.394366D+00  0.337466D+01  0.246542D+01  0.240909D+00
      2  -0.197065D+01 -0.348936D+01 -0.417874D+01  0.606017D+01 -0.116867D+01
      3   0.596251D+01  0.388373D+01  0.804073D+00 -0.852559D+01  0.927763D+00
      4   0.520627D+01 -0.350473D+01  0.453545D+01  0.431428D+01  0.502161D+00
      5   0.344728D+01 -0.473926D+01  0.185255D+01  0.831722D+01  0.259854D+00
      6   0.824279D+01  0.420400D+01 -0.325828D+01 -0.707463D+01 -0.128221D+00
               221           222           223           224           225 
      1   0.263098D+01  0.159421D+01  0.161061D+01 -0.510304D+01 -0.117191D+02
      2  -0.551154D+01  0.236434D+01  0.336545D+01  0.325788D+01 -0.156731D+02
      3   0.288056D+01 -0.395855D+01 -0.497606D+01  0.184515D+01  0.273922D+02
      4   0.217621D+01  0.630950D+00  0.379560D+01 -0.212345D+01 -0.274042D+01
      5  -0.129552D+01  0.927504D+00  0.562006D+01 -0.121396D+01 -0.950587D+01
      6  -0.181929D+01  0.689004D+00 -0.303842D+01  0.672842D+01  0.183859D+02
               226           227           228           229           230 
      1  -0.745666D+00 -0.487998D+00 -0.119994D+01 -0.616784D+01 -0.112942D+02
      2   0.410065D+01 -0.220031D+01  0.161458D+01  0.179139D+01  0.204176D+02
      3  -0.335498D+01  0.268830D+01 -0.414639D+00  0.437644D+01 -0.912335D+01
      4  -0.310571D+01  0.533222D+01  0.147823D+00  0.877338D+01 -0.207303D+02
      5  -0.133985D+01 -0.359535D+00  0.153815D+00 -0.503355D+01  0.282047D+01
      6   0.251207D+00  0.501428D+00 -0.198182D+00  0.389036D+01 -0.119436D+02
               231           232           233           234           235 
      1   0.168579D+01 -0.530311D+01  0.193166D+01 -0.406818D+01 -0.236751D+01
      2  -0.121651D+00  0.351926D+01  0.104494D+01  0.209044D+01 -0.149971D+00
      3  -0.156414D+01  0.178385D+01 -0.297660D+01  0.197774D+01  0.251748D+01
      4   0.446271D+01  0.177341D+01 -0.227956D+01 -0.182675D+01  0.792666D+00
      5  -0.489468D+01 -0.110843D+01 -0.169360D+01  0.968613D-01  0.282112D+00
      6   0.567696D+01  0.648231D-01  0.266882D+01 -0.190312D+01  0.123237D+01
               236           237           238           239           240 
      1   0.789692D+00  0.350249D+01  0.357589D+01 -0.345533D+01  0.999953D+00
      2  -0.160643D+01  0.947037D+00 -0.377057D+01  0.906035D+00 -0.318310D+01
      3   0.816738D+00 -0.444952D+01  0.194685D+00  0.254929D+01  0.218315D+01
      4  -0.405906D+00  0.147183D+00  0.880951D+00 -0.975673D+00  0.227821D+01
      5   0.107603D+01  0.192381D+01  0.176320D+01  0.146603D+01  0.172725D+01
      6  -0.797027D+00  0.177642D+01  0.125127D+00 -0.187398D+01  0.449487D+01
               241           242           243           244           245 
      1   0.424969D+01  0.383564D+01 -0.197353D+02  0.166599D-01  0.786840D+01
      2  -0.623459D+01  0.780180D+00 -0.157595D+02 -0.409295D+00 -0.999401D+01
      3   0.198489D+01 -0.461582D+01  0.354948D+02  0.392635D+00  0.212561D+01
      4  -0.162781D+01  0.364483D+01 -0.261859D+01 -0.169192D+02  0.759329D+01
      5   0.719450D+01 -0.395068D+01  0.211660D+02 -0.877074D+01  0.559718D+01
      6  -0.155442D+01  0.554379D+01 -0.986610D+01  0.902963D+01 -0.110666D+02
               246           247           248           249           250 
      1   0.455732D+01  0.208251D+01 -0.325795D+01 -0.189868D+01  0.156127D+01
      2  -0.182485D+01 -0.283905D+01  0.699164D+01  0.152780D+01  0.674786D+00
      3  -0.273247D+01  0.756540D+00 -0.373369D+01  0.370878D+00 -0.223606D+01
      4   0.804584D+01  0.776369D+01 -0.732144D+01 -0.471289D+01  0.423629D+01
      5   0.563699D+01  0.284568D+01 -0.299566D+01 -0.219420D+01  0.457970D+01
      6  -0.101639D+02 -0.521965D+01  0.514022D+01  0.541867D+01 -0.522590D+01
               251           252           253           254           255 
      1  -0.146650D+01 -0.396813D+01 -0.405784D+00 -0.342543D+01 -0.250665D+01
      2  -0.115742D+01 -0.200092D+01 -0.348772D+01  0.422103D+01 -0.604587D+01
      3   0.262392D+01  0.596905D+01  0.389351D+01 -0.795605D+00  0.855252D+01
      4  -0.386106D+01 -0.521815D+01  0.351482D+01  0.454096D+01  0.434700D+01
      5  -0.213583D+01 -0.348063D+01  0.473555D+01  0.186348D+01  0.831655D+01
      6   0.490110D+01  0.825424D+01  0.422621D+01  0.329741D+01  0.713554D+01
               256           257           258           259           260 
      1  -0.259259D+00  0.263177D+01  0.157555D+01 -0.162214D+01 -0.513635D+01
      2   0.118374D+01 -0.549881D+01  0.232608D+01 -0.336303D+01  0.325308D+01
      3  -0.924479D+00  0.286704D+01 -0.390163D+01  0.498517D+01  0.188327D+01
      4   0.525781D+00 -0.211587D+01 -0.612829D+00  0.380858D+01  0.211600D+01
      5   0.273290D+00  0.131216D+01 -0.895333D+00  0.561484D+01  0.122180D+01
      6   0.155853D+00 -0.178012D+01  0.727640D+00  0.305398D+01  0.676782D+01
               261           262           263           264           265 
      1  -0.117374D+02  0.202218D+02 -0.490671D+01 -0.759363D+01 -0.791086D+01
      2  -0.156226D+02 -0.164515D+02  0.666356D+01  0.938563D+01  0.868797D+01
      3   0.273600D+02 -0.377036D+01 -0.175684D+01 -0.179200D+01 -0.777118D+00
      4   0.278146D+01 -0.755344D+00  0.662404D+01  0.129207D+01  0.108790D+01
      5   0.946524D+01 -0.155207D+02  0.392153D+01  0.107472D+02  0.106600D+02
      6   0.184590D+02  0.544722D+00 -0.144942D+01  0.751538D+00 -0.102405D+01
               266           267           268           269           270 
      1   0.515195D+01  0.365695D+01 -0.331702D+01  0.123491D+01  0.179610D+01
      2  -0.573039D+01 -0.622676D+01  0.655729D+01 -0.198260D+01 -0.774203D+01
      3   0.578432D+00  0.256981D+01 -0.324027D+01  0.747686D+00  0.594593D+01
      4  -0.736164D+01 -0.492739D+00  0.268712D+01 -0.373886D+00 -0.198519D+01
      5  -0.250763D+01 -0.758445D+01  0.772887D+01 -0.343947D+01 -0.854603D+01
      6   0.247755D+01  0.487198D+00 -0.348461D+00  0.152690D+01 -0.810403D+00
               271           272           273           274           275 
      1  -0.210051D+01  0.243003D+01 -0.696943D+01  0.440365D+00 -0.495711D+01
      2  -0.177755D+01 -0.153244D+01 -0.124917D+01  0.417159D+00  0.209874D+01
      3   0.387807D+01 -0.897592D+00  0.821861D+01 -0.857524D+00  0.285836D+01
      4  -0.603831D+01 -0.281927D+01  0.275171D+00  0.163331D+01  0.178978D+01
      5   0.237853D+01  0.200838D+01 -0.257767D+00  0.119406D+00 -0.109100D+01
      6   0.347202D-01  0.316176D+01 -0.578280D+01  0.270576D+00 -0.581915D+01
               276           277           278           279           280 
      1   0.606170D+01 -0.252189D+01  0.547454D+01 -0.176515D+02  0.643455D+01
      2  -0.836678D+00  0.162488D+01 -0.402714D+00 -0.112774D+02 -0.330078D+01
      3  -0.522502D+01  0.897014D+00 -0.507182D+01  0.289289D+02 -0.313378D+01
      4  -0.545314D+00 -0.338847D+01 -0.334610D+01 -0.442193D+00  0.440020D+01
      5   0.190549D+01  0.472829D+01  0.228606D+01 -0.112090D+02  0.785595D+01
      6   0.869978D+01  0.667797D+00  0.739015D+01 -0.169979D+02  0.202461D+01
               281           282           283           284           285 
      1   0.340252D+01  0.661561D+01  0.851390D+01 -0.778654D+00 -0.190018D+01
      2  -0.121629D+01 -0.364169D+01 -0.447694D+01  0.384320D+01 -0.560881D+00
      3  -0.218623D+01 -0.297392D+01 -0.403696D+01 -0.306454D+01  0.246106D+01
      4   0.516116D+01  0.178053D+01  0.116782D+02  0.241351D+02  0.121880D+02
      5   0.233950D+01  0.491459D+01  0.674045D+01  0.128637D+02  0.148399D+02
      6   0.746561D+00  0.658248D+00  0.421734D+01  0.116933D+02  0.827050D+01
               286           287           288           289           290 
      1   0.829421D+01 -0.198983D+01 -0.838398D+00  0.656184D+02 -0.162832D+02
      2  -0.628523D+01 -0.842099D+00 -0.394182D+01 -0.361957D+02  0.795410D+01
      3  -0.200898D+01  0.283193D+01  0.478022D+01 -0.294227D+02  0.832906D+01
      4   0.350261D+01  0.872518D+01  0.859378D+01 -0.210941D+02  0.133758D+02
      5   0.872569D+01  0.894767D+01  0.135514D+02  0.272410D+02 -0.719461D+01
      6   0.218114D+01  0.732301D+01  0.676216D+01 -0.459535D+01  0.308434D+01
               291           292           293           294           295 
      1   0.169505D+02 -0.261088D+02  0.125598D+02 -0.696586D+01  0.149243D+02
      2  -0.110051D+02  0.130608D+02 -0.515232D+01  0.469780D+01 -0.116337D+02
      3  -0.594538D+01  0.130480D+02 -0.740752D+01  0.226805D+01 -0.329060D+01
      4  -0.619390D+01  0.201064D+02 -0.133671D+02  0.880546D+01 -0.572597D+01
      5   0.172073D+02 -0.122033D+02  0.965314D+01 -0.771968D+01  0.208137D+02
      6  -0.199716D+01  0.540575D+01 -0.342145D+01  0.428368D+01 -0.310852D+01
               296           297           298           299           300 
      1  -0.370635D+01  0.114489D+02  0.653668D+02  0.164214D+02 -0.168291D+02
      2   0.335106D+01 -0.947716D+01 -0.359490D+02 -0.797836D+01  0.108917D+02
      3   0.355296D+00 -0.197178D+01 -0.294177D+02 -0.844304D+01  0.593746D+01
      4   0.587951D+01 -0.550859D+01  0.214018D+02  0.135305D+02 -0.624723D+01
      5  -0.596176D+01  0.131480D+02 -0.270469D+02 -0.722462D+01  0.171017D+02
      6   0.372303D+01 -0.270441D+01 -0.464854D+01 -0.310827D+01  0.203523D+01
               301           302           303           304           305 
      1   0.262435D+02  0.126647D+02 -0.695277D+01 -0.148057D+02 -0.370011D+01
      2  -0.130529D+02 -0.513582D+01  0.466046D+01  0.115153D+02  0.333451D+01
      3  -0.131906D+02 -0.752884D+01  0.229230D+01  0.329034D+01  0.365592D+00
      4   0.203360D+02  0.135991D+02 -0.885744D+01 -0.578188D+01 -0.591332D+01
      5  -0.122179D+02 -0.969323D+01  0.775058D+01  0.207082D+02  0.601202D+01
      6  -0.544400D+01 -0.348125D+01  0.430487D+01  0.316450D+01  0.374776D+01
               306           307           308           309           310 
      1   0.113815D+02  0.659312D+01 -0.343068D+01 -0.662980D+01 -0.861147D+01
      2  -0.938965D+01 -0.339109D+01  0.123747D+01  0.366357D+01  0.454698D+01
      3  -0.199181D+01 -0.320203D+01  0.219321D+01  0.296623D+01  0.406448D+01
      4   0.557933D+01 -0.446029D+01  0.526109D+01  0.180973D+01  0.117719D+02
      5  -0.130463D+02 -0.792228D+01  0.238379D+01  0.498878D+01  0.681187D+01
      6  -0.274161D+01  0.201869D+01 -0.789453D+00 -0.684281D+00 -0.424821D+01
               311           312           313           314           315 
      1  -0.564467D+00 -0.177956D+01 -0.832387D+01 -0.191830D+01 -0.743274D+00
      2   0.365822D+01 -0.652337D+00  0.631745D+01 -0.896799D+00 -0.400401D+01
      3  -0.309376D+01  0.243190D+01  0.200642D+01  0.281510D+01  0.474728D+01
      4  -0.241292D+02 -0.121936D+02  0.350439D+01 -0.872679D+01 -0.859349D+01
      5  -0.128842D+02 -0.148645D+02  0.878343D+01 -0.895479D+01 -0.135787D+02
      6   0.116038D+02  0.819504D+01 -0.219387D+01  0.727309D+01  0.670059D+01
               316           317           318           319           320 
      1  -0.232808D+01 -0.793309D+00 -0.348840D+01 -0.359333D+01 -0.346790D+01
      2  -0.183720D+00  0.159814D+01 -0.925970D+00  0.379196D+01  0.923984D+00
      3   0.251180D+01 -0.804831D+00  0.441437D+01 -0.198632D+00  0.254391D+01
      4  -0.802393D+00 -0.420236D+00  0.146905D+00  0.846447D+00  0.945949D+00
      5  -0.308173D+00  0.107572D+01  0.195361D+01  0.178483D+01 -0.144988D+01
      6   0.123756D+01  0.801047D+00 -0.176949D+01 -0.108960D+00 -0.185081D+01
               321           322           323           324           325 
      1   0.967187D+00 -0.423915D+01  0.380371D+01 -0.197249D+02 -0.810109D+00
      2  -0.322157D+01  0.623744D+01  0.766534D+00 -0.157816D+02  0.412942D+01
      3   0.225438D+01 -0.199828D+01 -0.457024D+01  0.355064D+02 -0.331931D+01
      4  -0.226534D+01 -0.164887D+01 -0.364040D+01  0.258527D+01  0.302698D+01
      5  -0.178010D+01  0.720182D+01  0.393529D+01 -0.211923D+02  0.135663D+01
      6   0.446756D+01  0.156282D+01  0.553918D+01 -0.987385D+01  0.267680D+00
               326           327           328           329           330 
      1   0.494822D+00  0.119085D+01  0.615568D+01 -0.114407D+02  0.174473D+01
      2   0.216101D+01 -0.161370D+01 -0.180122D+01  0.205504D+02 -0.185669D+00
      3  -0.265583D+01  0.422851D+00 -0.435446D+01 -0.910967D+01 -0.155906D+01
      4   0.524332D+01  0.170027D+00  0.873662D+01  0.206801D+02 -0.448876D+01
      5  -0.347357D+00  0.141137D+00 -0.501979D+01 -0.283603D+01  0.488738D+01
      6  -0.454728D+00  0.175190D+00 -0.387539D+01 -0.120226D+02  0.572464D+01
               331           332           333 
      1   0.527684D+01  0.195323D+01 -0.408627D+01
      2  -0.350784D+01  0.102047D+01  0.209380D+01
      3  -0.176900D+01 -0.297370D+01  0.199247D+01
      4   0.178734D+01  0.225298D+01  0.180912D+01
      5  -0.109836D+01  0.168334D+01 -0.115134D+00
      6  -0.757117D-01  0.269419D+01 -0.192204D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Jul 19 02:10:38 2021, MaxMem=  5637144576 cpu:          242304.1 elap:           30455.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.59695 -14.59693 -14.59687 -14.59687 -14.59682
 Alpha  occ. eigenvalues --  -14.59678 -10.45399 -10.45398 -10.45386 -10.45384
 Alpha  occ. eigenvalues --  -10.45350 -10.45341  -3.65003  -2.46138  -2.46129
 Alpha  occ. eigenvalues --   -2.45663  -1.42931  -1.41768  -1.41746  -1.39224
 Alpha  occ. eigenvalues --   -1.39204  -1.39158  -1.22081  -1.21861  -1.21852
 Alpha  occ. eigenvalues --   -1.10831  -1.10285  -1.10193  -1.03968  -1.03788
 Alpha  occ. eigenvalues --   -1.02971  -1.01842  -1.01754  -1.01503  -1.00874
 Alpha  occ. eigenvalues --   -1.00544  -0.99955  -0.94528  -0.94484  -0.94239
 Alpha  occ. eigenvalues --   -0.93165  -0.92876  -0.92664  -0.90582  -0.89957
 Alpha  occ. eigenvalues --   -0.89857  -0.86144  -0.85987  -0.84711  -0.84337
 Alpha  occ. eigenvalues --   -0.84140  -0.83260  -0.81686  -0.80686  -0.80611
 Alpha  occ. eigenvalues --   -0.77295  -0.77269  -0.77017
 Alpha virt. eigenvalues --   -0.41382  -0.41336  -0.34570  -0.32647  -0.31657
 Alpha virt. eigenvalues --   -0.31545  -0.28957  -0.28719  -0.28310  -0.26877
 Alpha virt. eigenvalues --   -0.26164  -0.25528  -0.25448  -0.24715  -0.23986
 Alpha virt. eigenvalues --   -0.23402  -0.23336  -0.23007  -0.22374  -0.22192
 Alpha virt. eigenvalues --   -0.21730  -0.20963  -0.20319  -0.20220  -0.19913
 Alpha virt. eigenvalues --   -0.19532  -0.19355  -0.19136  -0.18976  -0.18384
 Alpha virt. eigenvalues --   -0.17629  -0.17491  -0.17434  -0.17112  -0.16793
 Alpha virt. eigenvalues --   -0.16756  -0.16511  -0.16305  -0.16304  -0.15611
 Alpha virt. eigenvalues --   -0.15351  -0.15122  -0.15005  -0.14857  -0.14639
 Alpha virt. eigenvalues --   -0.14260  -0.14193  -0.13835  -0.13578  -0.13379
 Alpha virt. eigenvalues --   -0.12951  -0.12812  -0.12606  -0.12153  -0.12108
 Alpha virt. eigenvalues --   -0.12055  -0.11834  -0.11659  -0.11398  -0.11159
 Alpha virt. eigenvalues --   -0.10628  -0.10565  -0.10349  -0.10132  -0.09723
 Alpha virt. eigenvalues --   -0.09711  -0.09456  -0.09376  -0.09134  -0.08726
 Alpha virt. eigenvalues --   -0.08563  -0.08522  -0.08288  -0.08016  -0.07810
 Alpha virt. eigenvalues --   -0.07426  -0.06986  -0.06443  -0.06283  -0.06195
 Alpha virt. eigenvalues --   -0.05804  -0.05704  -0.05145  -0.05048  -0.04915
 Alpha virt. eigenvalues --   -0.04620  -0.04493  -0.03872  -0.03649  -0.03464
 Alpha virt. eigenvalues --   -0.02738  -0.02261  -0.02066  -0.01893  -0.01053
 Alpha virt. eigenvalues --   -0.00668  -0.00391  -0.00046   0.00142   0.00259
 Alpha virt. eigenvalues --    0.00496   0.01007   0.01722   0.01872   0.02137
 Alpha virt. eigenvalues --    0.02550   0.02705   0.03531   0.04110   0.04532
 Alpha virt. eigenvalues --    0.05506   0.05550   0.05814   0.06178   0.06880
 Alpha virt. eigenvalues --    0.07059   0.07156   0.07651   0.07854   0.08281
 Alpha virt. eigenvalues --    0.08904   0.08919   0.09038   0.09433   0.09566
 Alpha virt. eigenvalues --    0.09843   0.10218   0.10451   0.11065   0.11263
 Alpha virt. eigenvalues --    0.11474   0.11841   0.12401   0.12942   0.13251
 Alpha virt. eigenvalues --    0.14317   0.14655   0.14807   0.15220   0.15614
 Alpha virt. eigenvalues --    0.15943   0.16435   0.16752   0.17443   0.17963
 Alpha virt. eigenvalues --    0.18053   0.18518   0.18941   0.19139   0.19684
 Alpha virt. eigenvalues --    0.19727   0.20011   0.20089   0.20151   0.21035
 Alpha virt. eigenvalues --    0.21284   0.21474   0.22128   0.22688   0.22835
 Alpha virt. eigenvalues --    0.24092   0.24354   0.24397   0.24889   0.24903
 Alpha virt. eigenvalues --    0.25997   0.26199   0.26852   0.27867   0.28256
 Alpha virt. eigenvalues --    0.29525   0.29795   0.29926   0.30292   0.30917
 Alpha virt. eigenvalues --    0.31404   0.31697   0.31840   0.32464   0.32475
 Alpha virt. eigenvalues --    0.32960   0.33436   0.33561   0.34477   0.34645
 Alpha virt. eigenvalues --    0.34787   0.35058   0.35394   0.35524   0.35534
 Alpha virt. eigenvalues --    0.36618   0.36814   0.37270   0.37606   0.37772
 Alpha virt. eigenvalues --    0.38190   0.39085   0.39339   0.39478   0.40004
 Alpha virt. eigenvalues --    0.40818   0.40958   0.41545   0.42124   0.42526
 Alpha virt. eigenvalues --    0.43416   0.44217   0.44297   0.44585   0.44617
 Alpha virt. eigenvalues --    0.44668   0.45079   0.45622   0.46136   0.47221
 Alpha virt. eigenvalues --    0.47267   0.48782   0.48984   0.49030   0.50096
 Alpha virt. eigenvalues --    0.50972   0.51077   0.51848   0.52158   0.52402
 Alpha virt. eigenvalues --    0.52750   0.53064   0.54428   0.54666   0.54794
 Alpha virt. eigenvalues --    0.55258   0.55706   0.56179   0.56707   0.56980
 Alpha virt. eigenvalues --    0.58378   0.58854   0.58938   0.59569   0.60170
 Alpha virt. eigenvalues --    0.60593   0.60805   0.61701   0.62375   0.63144
 Alpha virt. eigenvalues --    0.64202   0.65088   0.65215   0.66212   0.66379
 Alpha virt. eigenvalues --    0.66770   0.67044   0.69918   0.70125   0.71159
 Alpha virt. eigenvalues --    0.71359   0.71738   0.72138   0.73289   0.74189
 Alpha virt. eigenvalues --    0.74693   0.75321   0.76026   0.76508   0.77117
 Alpha virt. eigenvalues --    0.77453   0.78983   0.79168   0.80297   0.82635
 Alpha virt. eigenvalues --    0.82714   0.84317   0.85853   0.86274   0.86920
 Alpha virt. eigenvalues --    0.88062   0.88539   0.89549   0.89607   0.91481
 Alpha virt. eigenvalues --    0.92170   0.93651   0.93752   0.95811   0.96644
 Alpha virt. eigenvalues --    0.97200   0.98574   1.00314   1.01611   1.01786
 Alpha virt. eigenvalues --    1.02433   1.05847   1.06119   1.07708   1.09658
 Alpha virt. eigenvalues --    1.12163   1.12976   1.13796   1.14833   1.15113
 Alpha virt. eigenvalues --    1.16300   1.16841   1.19552   1.22209   1.22453
 Alpha virt. eigenvalues --    1.22939   1.24777   1.25155   1.25592   1.27030
 Alpha virt. eigenvalues --    1.27642   1.29432   1.29458   1.30660   1.31652
 Alpha virt. eigenvalues --    1.32200   1.32976   1.33497   1.34454   1.36227
 Alpha virt. eigenvalues --    1.38931   1.39266   1.39555   1.41346   1.41690
 Alpha virt. eigenvalues --    1.42267   1.42934   1.43128   1.44153   1.44365
 Alpha virt. eigenvalues --    1.44814   1.45527   1.46206   1.46637   1.46842
 Alpha virt. eigenvalues --    1.47421   1.49208   1.50348   1.50717   1.51630
 Alpha virt. eigenvalues --    1.52836   1.53348   1.54715   1.55247   1.56443
 Alpha virt. eigenvalues --    1.57353   1.58227   1.58716   1.58980   1.59375
 Alpha virt. eigenvalues --    1.59810   1.61091   1.61671   1.62848   1.63395
 Alpha virt. eigenvalues --    1.63432   1.64310   1.64677   1.66732   1.66799
 Alpha virt. eigenvalues --    1.67046   1.67581   1.68224   1.71452   1.71617
 Alpha virt. eigenvalues --    1.72414   1.72613   1.74133   1.74200   1.75373
 Alpha virt. eigenvalues --    1.77146   1.78091   1.78302   1.79158   1.80529
 Alpha virt. eigenvalues --    1.82297   1.82868   1.83137   1.83815   1.84489
 Alpha virt. eigenvalues --    1.84752   1.85747   1.86508   1.87345   1.88106
 Alpha virt. eigenvalues --    1.88669   1.90121   1.91457   1.92224   1.92635
 Alpha virt. eigenvalues --    1.93473   1.94302   1.95774   1.96123   1.96895
 Alpha virt. eigenvalues --    1.99259   2.00171   2.01921   2.03096   2.03274
 Alpha virt. eigenvalues --    2.04005   2.04148   2.07064   2.07843   2.08389
 Alpha virt. eigenvalues --    2.08512   2.09825   2.11724   2.12666   2.14132
 Alpha virt. eigenvalues --    2.14754   2.16666   2.17004   2.19256   2.19377
 Alpha virt. eigenvalues --    2.19780   2.20516   2.21141   2.21582   2.23092
 Alpha virt. eigenvalues --    2.23170   2.23622   2.23847   2.24561   2.24834
 Alpha virt. eigenvalues --    2.27141   2.27202   2.27715   2.27882   2.29246
 Alpha virt. eigenvalues --    2.29273   2.30617   2.31599   2.31634   2.32138
 Alpha virt. eigenvalues --    2.32987   2.33566   2.34229   2.35480   2.36383
 Alpha virt. eigenvalues --    2.36957   2.37444   2.38313   2.38753   2.39747
 Alpha virt. eigenvalues --    2.41316   2.42069   2.44427   2.47271   2.47544
 Alpha virt. eigenvalues --    2.51172   2.51269   2.52823   2.53637   2.56896
 Alpha virt. eigenvalues --    2.58345   2.59011   2.61468   2.64030   2.65653
 Alpha virt. eigenvalues --    2.71728   2.71950   2.73577   2.73767   2.76386
 Alpha virt. eigenvalues --    2.76824   2.80648   2.84805   2.86038   2.86087
 Alpha virt. eigenvalues --    2.89324   2.91845   2.96098   2.96768   3.00864
 Alpha virt. eigenvalues --    3.01730   3.03682   3.04136   3.06827   3.09264
 Alpha virt. eigenvalues --    3.10639   3.18233   3.35018   3.36433   3.84283
 Alpha virt. eigenvalues --    5.81895   5.84826  45.32256
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.477604   0.101930   0.356943  -1.754914   0.030796   0.006398
     2  C    0.101930   5.474253   0.981256  -1.756287   0.003394  -0.029223
     3  N    0.356943   0.981256  10.439778  -7.165136   0.461594   0.049028
     4  Rh  -1.754914  -1.756287  -7.165136  61.563282  -6.282416  -1.065774
     5  N    0.030796   0.003394   0.461594  -6.282416   9.589562   0.979784
     6  C    0.006398  -0.029223   0.049028  -1.065774   0.979784   5.197190
     7  C   -0.014359   0.014093  -0.022503  -1.345196   0.105009   0.133996
     8  N    0.164944   0.180427   0.218244  -5.977046   0.355280  -0.028269
     9  N    0.980707   0.356238   0.220305  -7.162824   0.452153   0.016488
    10  N    0.002673   0.032234   0.448758  -6.261061   0.752710   0.131832
    11  C   -0.029522   0.006609   0.014980  -1.061964   0.130510   0.033294
    12  C    0.014841  -0.014789   0.294740  -1.344181   0.050786  -0.059709
    13  N    0.181926   0.166021   0.931559  -5.985668   0.207844   0.018038
    14  H   -0.010237   0.002821  -0.009022   0.097144  -0.065205  -0.304472
    15  H    0.010314  -0.004570  -0.000655   0.397125  -0.498751  -0.075897
    16  H    0.009867  -0.004824  -0.018429  -0.018711   0.045718  -0.124819
    17  H   -0.012828   0.002661   0.005318   0.548930  -0.021862   0.095226
    18  H   -0.004912   0.009931   0.034266  -0.014994  -0.013386   0.003121
    19  H    0.002671  -0.012770  -0.040224   0.545203   0.016801   0.002065
    20  H    0.002783  -0.010112  -0.053210   0.091670   0.006763   0.028632
    21  H   -0.004529   0.010191   0.044939   0.400461  -0.010213  -0.014254
    22  H    0.003270  -0.001603   0.025345  -0.055876  -0.000280   0.016237
    23  H   -0.007897   0.002973  -0.021819  -0.086705   0.035409   0.003294
    24  H    0.020868  -0.005159  -0.004946  -0.148053   0.002117  -0.000351
    25  H    0.018515   0.005164   0.020105  -0.110670   0.045228   0.010723
    26  H   -0.174241   0.034555  -0.054053  -0.125345  -0.030785   0.011982
    27  H    0.015192  -0.022301   0.016924   0.078251   0.046830   0.010556
    28  H   -0.005512   0.021133  -0.046872  -0.148947   0.029428   0.012426
    29  H    0.005107   0.018474   0.006627  -0.106602  -0.042581   0.025763
    30  H   -0.001582   0.003261   0.007419  -0.055764   0.267996  -0.017756
    31  H    0.002608  -0.007875   0.003222  -0.083587   0.382846  -0.104614
    32  H   -0.426236  -0.068967   0.003896   0.309589  -0.030479  -0.002497
    33  H    0.131035  -0.127213   0.032145   0.478012   0.021931   0.004483
    34  H   -0.126615   0.130227  -0.660110   0.478511  -0.001624  -0.002404
    35  H   -0.070678  -0.423284  -0.132825   0.309595  -0.017850  -0.000386
    36  H   -0.022099   0.015170   0.038555   0.080831  -0.000736  -0.010254
    37  H    0.034574  -0.173235   0.396420  -0.127435   0.017690   0.006945
               7          8          9         10         11         12
     1  C   -0.014359   0.164944   0.980707   0.002673  -0.029522   0.014841
     2  C    0.014093   0.180427   0.356238   0.032234   0.006609  -0.014789
     3  N   -0.022503   0.218244   0.220305   0.448758   0.014980   0.294740
     4  Rh  -1.345196  -5.977046  -7.162824  -6.261061  -1.061964  -1.344181
     5  N    0.105009   0.355280   0.452153   0.752710   0.130510   0.050786
     6  C    0.133996  -0.028269   0.016488   0.131832   0.033294  -0.059709
     7  C    5.334549   0.936449   0.294835   0.047604  -0.059699   0.013036
     8  N    0.936449   9.375502   0.930393   0.203753   0.016507   0.001804
     9  N    0.294835   0.930393  10.438448   0.459834   0.048364  -0.022153
    10  N    0.047604   0.203753   0.459834   9.578910   0.979700   0.102440
    11  C   -0.059699   0.016507   0.048364   0.979700   5.195785   0.134634
    12  C    0.013036   0.001804  -0.022153   0.102440   0.134634   5.333134
    13  N    0.000281   0.350668   0.217447   0.354345  -0.025751   0.933414
    14  H   -0.113467   0.075202  -0.053408   0.005707   0.027838  -0.007623
    15  H    0.066460  -0.017990   0.045144  -0.009819  -0.014115   0.005108
    16  H   -0.286442   0.058790   0.034558  -0.013683   0.002942  -0.000190
    17  H   -0.148017  -0.577389  -0.040581   0.017080   0.002209   0.000335
    18  H   -0.000339  -0.007827  -0.018471   0.045968  -0.123493  -0.287974
    19  H    0.000391  -0.001415   0.005386  -0.021928   0.094543  -0.145959
    20  H   -0.008140  -0.019133  -0.009099  -0.061810  -0.303002  -0.114256
    21  H    0.005250   0.010660  -0.000606  -0.499821  -0.077076   0.066942
    22  H    0.010048  -0.024704   0.007423   0.268979  -0.018238   0.009881
    23  H    0.004403   0.003733   0.003326   0.383790  -0.105048   0.021714
    24  H    0.000931   0.008453  -0.047025   0.028921   0.012308   0.021875
    25  H   -0.006152   0.006923   0.006412  -0.041464   0.026114  -0.115460
    26  H    0.017769   0.039790   0.393874   0.017750   0.007006   0.000966
    27  H    0.002089   0.003621   0.039408  -0.000621  -0.010274   0.011168
    28  H    0.021734   0.334746  -0.005503   0.002228  -0.000360   0.001006
    29  H   -0.115568   0.378312   0.019951   0.044892   0.010643  -0.006182
    30  H    0.009545   0.006351   0.025491   0.000250   0.016497   0.009927
    31  H    0.021794  -0.022777  -0.023286   0.035046   0.003211   0.004444
    32  H    0.001124  -0.034093  -0.131914  -0.018023  -0.000539  -0.003532
    33  H   -0.004562   0.014905  -0.659653  -0.001586  -0.002366   0.006367
    34  H    0.006311   0.001329   0.031980   0.021965   0.004547  -0.004628
    35  H   -0.003243   0.002304   0.003557  -0.030229  -0.002562   0.001086
    36  H    0.011041   0.001924   0.016304   0.046337   0.010508   0.002052
    37  H    0.001052   0.039318  -0.053550  -0.030959   0.011615   0.018248
              13         14         15         16         17         18
     1  C    0.181926  -0.010237   0.010314   0.009867  -0.012828  -0.004912
     2  C    0.166021   0.002821  -0.004570  -0.004824   0.002661   0.009931
     3  N    0.931559  -0.009022  -0.000655  -0.018429   0.005318   0.034266
     4  Rh  -5.985668   0.097144   0.397125  -0.018711   0.548930  -0.014994
     5  N    0.207844  -0.065205  -0.498751   0.045718  -0.021862  -0.013386
     6  C    0.018038  -0.304472  -0.075897  -0.124819   0.095226   0.003121
     7  C    0.000281  -0.113467   0.066460  -0.286442  -0.148017  -0.000339
     8  N    0.350668   0.075202  -0.017990   0.058790  -0.577389  -0.007827
     9  N    0.217447  -0.053408   0.045144   0.034558  -0.040581  -0.018471
    10  N    0.354345   0.005707  -0.009819  -0.013683   0.017080   0.045968
    11  C   -0.025751   0.027838  -0.014115   0.002942   0.002209  -0.123493
    12  C    0.933414  -0.007623   0.005108  -0.000190   0.000335  -0.287974
    13  N    9.380922  -0.018925   0.010580  -0.007721  -0.001505   0.055648
    14  H   -0.018925   2.429832  -0.527691   0.176670  -0.167453  -0.000015
    15  H    0.010580  -0.527691   2.103207  -0.159243  -0.022131   0.000463
    16  H   -0.007721   0.176670  -0.159243   2.404307  -0.543006  -0.000376
    17  H   -0.001505  -0.167453  -0.022131  -0.543006   2.176291  -0.000314
    18  H    0.055648  -0.000015   0.000463  -0.000376  -0.000314   2.403365
    19  H   -0.575903  -0.000725   0.000307  -0.000307   0.000170  -0.542068
    20  H    0.075275   0.000913  -0.000040  -0.000038  -0.000758   0.176734
    21  H   -0.018665  -0.000117  -0.001503   0.000464   0.000317  -0.159525
    22  H    0.006929   0.011482  -0.000066  -0.001641  -0.002928  -0.006032
    23  H   -0.022741  -0.003572   0.000599  -0.003665   0.004613  -0.018755
    24  H    0.333492  -0.000400  -0.000181  -0.000830   0.000190  -0.094033
    25  H    0.380564  -0.003355   0.001958   0.000156  -0.000647   0.032533
    26  H    0.039492  -0.002268   0.000870   0.001859   0.002224  -0.000013
    27  H    0.002209  -0.004238   0.004109  -0.001132   0.002267  -0.001097
    28  H    0.008477  -0.003666   0.007304  -0.093955   0.005337  -0.000832
    29  H    0.006816  -0.029146   0.007226   0.032356  -0.017545   0.000166
    30  H   -0.024957  -0.096415   0.027606  -0.005982   0.009557  -0.001643
    31  H    0.003394   0.049413  -0.036391  -0.018886   0.004661  -0.003670
    32  H    0.001944  -0.000669   0.000274   0.000082  -0.000801  -0.000804
    33  H    0.001336  -0.000311   0.000645  -0.004792  -0.000061  -0.001635
    34  H    0.014623  -0.000357   0.000095  -0.001644  -0.000279  -0.004787
    35  H   -0.034084  -0.000074  -0.000228  -0.000799   0.006616   0.000091
    36  H    0.003666   0.000659  -0.000567  -0.001092   0.000079  -0.001188
    37  H    0.039875   0.000567  -0.000550  -0.000011  -0.000232   0.001795
              19         20         21         22         23         24
     1  C    0.002671   0.002783  -0.004529   0.003270  -0.007897   0.020868
     2  C   -0.012770  -0.010112   0.010191  -0.001603   0.002973  -0.005159
     3  N   -0.040224  -0.053210   0.044939   0.025345  -0.021819  -0.004946
     4  Rh   0.545203   0.091670   0.400461  -0.055876  -0.086705  -0.148053
     5  N    0.016801   0.006763  -0.010213  -0.000280   0.035409   0.002117
     6  C    0.002065   0.028632  -0.014254   0.016237   0.003294  -0.000351
     7  C    0.000391  -0.008140   0.005250   0.010048   0.004403   0.000931
     8  N   -0.001415  -0.019133   0.010660  -0.024704   0.003733   0.008453
     9  N    0.005386  -0.009099  -0.000606   0.007423   0.003326  -0.047025
    10  N   -0.021928  -0.061810  -0.499821   0.268979   0.383790   0.028921
    11  C    0.094543  -0.303002  -0.077076  -0.018238  -0.105048   0.012308
    12  C   -0.145959  -0.114256   0.066942   0.009881   0.021714   0.021875
    13  N   -0.575903   0.075275  -0.018665   0.006929  -0.022741   0.333492
    14  H   -0.000725   0.000913  -0.000117   0.011482  -0.003572  -0.000400
    15  H    0.000307  -0.000040  -0.001503  -0.000066   0.000599  -0.000181
    16  H   -0.000307  -0.000038   0.000464  -0.001641  -0.003665  -0.000830
    17  H    0.000170  -0.000758   0.000317  -0.002928   0.004613   0.000190
    18  H   -0.542068   0.176734  -0.159525  -0.006032  -0.018755  -0.094033
    19  H    2.175951  -0.167761  -0.021649   0.009552   0.004661   0.005380
    20  H   -0.167761   2.430235  -0.528788  -0.096509   0.049418  -0.003659
    21  H   -0.021649  -0.528788   2.104281   0.027526  -0.036294   0.007312
    22  H    0.009552  -0.096509   0.027526   0.938729  -0.165780  -0.000318
    23  H    0.004661   0.049418  -0.036294  -0.165780   0.808518   0.004826
    24  H    0.005380  -0.003659   0.007312  -0.000318   0.004826   0.943353
    25  H   -0.018013  -0.029089   0.007174   0.002471  -0.003695  -0.146986
    26  H   -0.000233   0.000575  -0.000550  -0.000112   0.000227   0.002802
    27  H    0.000094   0.000647  -0.000567   0.000128   0.000699  -0.000136
    28  H    0.000185  -0.000434  -0.000168  -0.001094   0.000427   0.000447
    29  H   -0.000639  -0.003321   0.001937   0.001214  -0.001630   0.000823
    30  H   -0.002935   0.011933  -0.000122   0.003676  -0.000748  -0.001118
    31  H    0.004638  -0.003659   0.000634  -0.000764   0.003835   0.000428
    32  H    0.006630  -0.000079  -0.000237  -0.000707  -0.001302   0.013907
    33  H   -0.000279  -0.000358   0.000100   0.000203  -0.000753  -0.002871
    34  H   -0.000059  -0.000308   0.000643   0.000309   0.003707   0.002993
    35  H   -0.000793  -0.000657   0.000260  -0.000590  -0.001624  -0.006755
    36  H    0.002243  -0.004244   0.004113  -0.001992   0.007413  -0.001238
    37  H    0.002181  -0.002292   0.000909   0.001134  -0.001576   0.003367
              25         26         27         28         29         30
     1  C    0.018515  -0.174241   0.015192  -0.005512   0.005107  -0.001582
     2  C    0.005164   0.034555  -0.022301   0.021133   0.018474   0.003261
     3  N    0.020105  -0.054053   0.016924  -0.046872   0.006627   0.007419
     4  Rh  -0.110670  -0.125345   0.078251  -0.148947  -0.106602  -0.055764
     5  N    0.045228  -0.030785   0.046830   0.029428  -0.042581   0.267996
     6  C    0.010723   0.011982   0.010556   0.012426   0.025763  -0.017756
     7  C   -0.006152   0.017769   0.002089   0.021734  -0.115568   0.009545
     8  N    0.006923   0.039790   0.003621   0.334746   0.378312   0.006351
     9  N    0.006412   0.393874   0.039408  -0.005503   0.019951   0.025491
    10  N   -0.041464   0.017750  -0.000621   0.002228   0.044892   0.000250
    11  C    0.026114   0.007006  -0.010274  -0.000360   0.010643   0.016497
    12  C   -0.115460   0.000966   0.011168   0.001006  -0.006182   0.009927
    13  N    0.380564   0.039492   0.002209   0.008477   0.006816  -0.024957
    14  H   -0.003355  -0.002268  -0.004238  -0.003666  -0.029146  -0.096415
    15  H    0.001958   0.000870   0.004109   0.007304   0.007226   0.027606
    16  H    0.000156   0.001859  -0.001132  -0.093955   0.032356  -0.005982
    17  H   -0.000647   0.002224   0.002267   0.005337  -0.017545   0.009557
    18  H    0.032533  -0.000013  -0.001097  -0.000832   0.000166  -0.001643
    19  H   -0.018013  -0.000233   0.000094   0.000185  -0.000639  -0.002935
    20  H   -0.029089   0.000575   0.000647  -0.000434  -0.003321   0.011933
    21  H    0.007174  -0.000550  -0.000567  -0.000168   0.001937  -0.000122
    22  H    0.002471  -0.000112   0.000128  -0.001094   0.001214   0.003676
    23  H   -0.003695   0.000227   0.000699   0.000427  -0.001630  -0.000748
    24  H   -0.146986   0.002802  -0.000136   0.000447   0.000823  -0.001118
    25  H    0.781766  -0.001492   0.003217   0.000828   0.001079   0.001224
    26  H   -0.001492   0.824444  -0.147854   0.003364  -0.000795   0.001129
    27  H    0.003217  -0.147854   0.923876  -0.001219   0.001708  -0.002017
    28  H    0.000828   0.003364  -0.001219   0.942834  -0.147160  -0.000315
    29  H    0.001079  -0.000795   0.001708  -0.147160   0.782708   0.002451
    30  H    0.001224   0.001129  -0.002017  -0.000315   0.002451   0.939393
    31  H   -0.001647  -0.001529   0.007444   0.004774  -0.003690  -0.165538
    32  H   -0.007076   0.059481  -0.104588  -0.006800  -0.002054  -0.000593
    33  H    0.004696  -0.038964   0.048649   0.003001   0.001377   0.000300
    34  H    0.001384   0.009263   0.002930  -0.002826   0.004684   0.000200
    35  H   -0.002067  -0.007773  -0.007844   0.013651  -0.006979  -0.000705
    36  H    0.001722   0.001470   0.000315  -0.000176   0.003244   0.000125
    37  H   -0.000762  -0.000646   0.001487   0.002774  -0.001523  -0.000117
              31         32         33         34         35         36
     1  C    0.002608  -0.426236   0.131035  -0.126615  -0.070678  -0.022099
     2  C   -0.007875  -0.068967  -0.127213   0.130227  -0.423284   0.015170
     3  N    0.003222   0.003896   0.032145  -0.660110  -0.132825   0.038555
     4  Rh  -0.083587   0.309589   0.478012   0.478511   0.309595   0.080831
     5  N    0.382846  -0.030479   0.021931  -0.001624  -0.017850  -0.000736
     6  C   -0.104614  -0.002497   0.004483  -0.002404  -0.000386  -0.010254
     7  C    0.021794   0.001124  -0.004562   0.006311  -0.003243   0.011041
     8  N   -0.022777  -0.034093   0.014905   0.001329   0.002304   0.001924
     9  N   -0.023286  -0.131914  -0.659653   0.031980   0.003557   0.016304
    10  N    0.035046  -0.018023  -0.001586   0.021965  -0.030229   0.046337
    11  C    0.003211  -0.000539  -0.002366   0.004547  -0.002562   0.010508
    12  C    0.004444  -0.003532   0.006367  -0.004628   0.001086   0.002052
    13  N    0.003394   0.001944   0.001336   0.014623  -0.034084   0.003666
    14  H    0.049413  -0.000669  -0.000311  -0.000357  -0.000074   0.000659
    15  H   -0.036391   0.000274   0.000645   0.000095  -0.000228  -0.000567
    16  H   -0.018886   0.000082  -0.004792  -0.001644  -0.000799  -0.001092
    17  H    0.004661  -0.000801  -0.000061  -0.000279   0.006616   0.000079
    18  H   -0.003670  -0.000804  -0.001635  -0.004787   0.000091  -0.001188
    19  H    0.004638   0.006630  -0.000279  -0.000059  -0.000793   0.002243
    20  H   -0.003659  -0.000079  -0.000358  -0.000308  -0.000657  -0.004244
    21  H    0.000634  -0.000237   0.000100   0.000643   0.000260   0.004113
    22  H   -0.000764  -0.000707   0.000203   0.000309  -0.000590  -0.001992
    23  H    0.003835  -0.001302  -0.000753   0.003707  -0.001624   0.007413
    24  H    0.000428   0.013907  -0.002871   0.002993  -0.006755  -0.001238
    25  H   -0.001647  -0.007076   0.004696   0.001384  -0.002067   0.001722
    26  H   -0.001529   0.059481  -0.038964   0.009263  -0.007773   0.001470
    27  H    0.007444  -0.104588   0.048649   0.002930  -0.007844   0.000315
    28  H    0.004774  -0.006800   0.003001  -0.002826   0.013651  -0.000176
    29  H   -0.003690  -0.002054   0.001377   0.004684  -0.006979   0.003244
    30  H   -0.165538  -0.000593   0.000300   0.000200  -0.000705   0.000125
    31  H    0.808237  -0.001647   0.003711  -0.000746  -0.001299   0.000690
    32  H   -0.001647   2.464806  -0.565951  -0.179201   0.189768  -0.007804
    33  H    0.003711  -0.565951   2.189262  -0.041705  -0.179244   0.002934
    34  H   -0.000746  -0.179201  -0.041705   2.188527  -0.564975   0.048845
    35  H   -0.001299   0.189768  -0.179244  -0.564975   2.463317  -0.104844
    36  H    0.000690  -0.007804   0.002934   0.048845  -0.104844   0.923152
    37  H    0.000230  -0.007889   0.009205  -0.039103   0.059332  -0.147766
              37
     1  C    0.034574
     2  C   -0.173235
     3  N    0.396420
     4  Rh  -0.127435
     5  N    0.017690
     6  C    0.006945
     7  C    0.001052
     8  N    0.039318
     9  N   -0.053550
    10  N   -0.030959
    11  C    0.011615
    12  C    0.018248
    13  N    0.039875
    14  H    0.000567
    15  H   -0.000550
    16  H   -0.000011
    17  H   -0.000232
    18  H    0.001795
    19  H    0.002181
    20  H   -0.002292
    21  H    0.000909
    22  H    0.001134
    23  H   -0.001576
    24  H    0.003367
    25  H   -0.000762
    26  H   -0.000646
    27  H    0.001487
    28  H    0.002774
    29  H   -0.001523
    30  H   -0.000117
    31  H    0.000230
    32  H   -0.007889
    33  H    0.009205
    34  H   -0.039103
    35  H    0.059332
    36  H   -0.147766
    37  H    0.822678
 Mulliken charges:
               1
     1  C    1.090595
     2  C    1.089198
     3  N    0.177437
     4  Rh  -0.133447
     5  N   -0.022012
     6  C    1.043177
     7  C    1.067890
     8  N   -0.009689
     9  N    0.180049
    10  N   -0.022702
    11  C    1.043644
    12  C    1.066687
    13  N   -0.010866
    14  H   -0.455419
    15  H   -0.319005
    16  H   -0.455552
    17  H   -0.325745
    18  H   -0.455900
    19  H   -0.325395
    20  H   -0.454820
    21  H   -0.319425
    22  H    0.034696
    23  H    0.136018
    24  H    0.049265
    25  H    0.128621
    26  H    0.115760
    27  H    0.080070
    28  H    0.049737
    29  H    0.127857
    30  H    0.033977
    31  H    0.136347
    32  H   -0.447017
    33  H   -0.321996
    34  H   -0.321702
    35  H   -0.447186
    36  H    0.080607
    37  H    0.116250
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.321582
     2  C    0.320310
     3  N    0.374293
     4  Rh  -0.133447
     5  N    0.148312
     6  C    0.268752
     7  C    0.286593
     8  N    0.167904
     9  N    0.375879
    10  N    0.148012
    11  C    0.269398
    12  C    0.285391
    13  N    0.167019
 Electronic spatial extent (au):  <R**2>=           2779.7130
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0252    Y=             -0.0003    Z=              0.0003  Tot=              0.0252
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.0426   YY=            -30.5369   ZZ=            -53.1771
   XY=             -0.0010   XZ=             -0.0049   YZ=             -0.1423
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.8763   YY=              7.3819   ZZ=            -15.2582
   XY=             -0.0010   XZ=             -0.0049   YZ=             -0.1423
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -36.7743  YYY=              0.2113  ZZZ=              0.0448  XYY=             37.6247
  XXY=             -0.2104  XXZ=              0.0096  XZZ=             -0.5797  YZZ=             -0.0085
  YYZ=              0.0210  XYZ=             -0.8283
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1008.9295 YYYY=           -974.5506 ZZZZ=           -356.6348 XXXY=              0.0545
 XXXZ=              0.1837 YYYX=             -0.0434 YYYZ=             38.8334 ZZZX=             -0.0095
 ZZZY=             -4.7069 XXYY=           -333.1796 XXZZ=           -230.1380 YYZZ=           -231.8160
 XXYZ=            -37.1833 YYXZ=             -0.2401 ZZXY=             -0.0074
 N-N= 1.198321918231D+03 E-N=-3.902987425752D+03  KE= 6.060384013633D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Jul 19 02:10:39 2021, MaxMem=  5637144576 cpu:               7.1 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0008    0.0008       -0.0006   -0.0004
 2     -0.0008   -0.0008       -0.0378   -0.0407       -0.7924   -0.7902
 3      0.0006    0.0004       17.3488   17.3479        0.0353    0.0407
 4      0.0378    0.0407        0.0000    0.0000        0.0003    0.0004
 5    -16.5564  -16.5577       -0.0003   -0.0004        0.0008    0.0008
 6     -0.0353   -0.0407       -0.0008   -0.0008       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0025   -0.0025       -0.0013   -0.0013
 2      0.1221    0.1221       -0.0000    0.0000       -0.0013   -0.0013
 3      0.1221    0.1221       -0.0025   -0.0025        0.0000    0.0000
 4     -0.0025   -0.0025       -0.1221   -0.1221       -2.3707   -2.3707
 5      0.0013    0.0013       52.0437   52.0437        0.1221    0.1221
 6    -49.6730  -49.6730       -0.0013   -0.0013        0.0025    0.0025
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1436    0.0000       -0.0030   -0.0033        0.0027    0.0017
 2      0.0062    0.0033        0.1460    0.1628        3.1846    3.1610
 3     -0.0013   -0.0017      -69.3922  -69.3916       -0.1572   -0.1628
 4     -0.0741   -0.1628        0.0002    0.0000        0.0011   -0.0017
 5     66.2221   66.2306        0.0024    0.0017       -0.0057   -0.0033
 6      0.1880    0.1628        0.0039    0.0033       -0.0015    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.8024    0.0000       -0.0110   -0.0079        0.0588    0.0559
 2      0.0177    0.0079       -4.2347   -4.5064       -9.2165   -8.6500
 3     -0.0474   -0.0559       -3.4916   -4.1891        4.4042    4.5064
 4      4.9187    4.5064        0.0092    0.0000       -0.0708   -0.0559
 5     11.6403   12.8390        0.0421    0.0559        0.0073   -0.0079
 6     -4.3285   -4.5064        0.0039    0.0079        0.0090    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    105.0613  105.1025        0.4931    0.4967        0.0108    0.0110
 2    111.3684  111.4698        0.5004    0.5024        0.0073    0.0110
 3    111.3931  111.4698        0.4932    0.4967        0.0047    0.0070
 4     -0.0116   -0.0057       -6.3981   -6.3673        4.1616    4.0692
 5     -0.0047   -0.0040      -36.2614  -36.4920        6.4905    6.3673
 6     32.3055   32.4228        0.0024    0.0040       -0.0012    0.0057
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      1.0680                 1.0933                 0.0745
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1526                 0.1562                 0.0106
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0955                -0.2928                 0.0477
 Delta2 Fr= 1--     -0.0763                -0.0555                -0.0067
 Raman1 Fr= 1--       4.272                  4.373                  0.298
 ROA1   Fr= 1--       6.724                -29.884                  4.365
 CID1   Fr= 1--       1.574                 -6.834                 14.639
 Raman2 Fr= 1--       1.831                  1.874                  0.128
 ROA2   Fr= 1--       2.902                 -6.583                  1.198
 CID2   Fr= 1--       1.585                 -3.512                  9.377
 Raman3 Fr= 1--       3.661                  3.748                  0.256
 ROA3   Fr= 1--       6.724                -29.884                  4.365
 CID3   Fr= 1--       1.836                 -7.972                 17.080
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.2036                 0.3458                 1.8795
  Dep-P Fr= 1--      0.7500                 0.7207                 0.7362
  Dep-U Fr= 1--      0.8571                 0.8377                 0.8480
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0004
 Beta2  Fr= 1--      0.0291                 0.0483                 0.2656
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0041
 Gamma2 Fr= 1--      0.6947                 0.9260                -2.0252
 Delta2 Fr= 1--      0.2182                 0.2923                -0.8969
 Raman1 Fr= 1--       0.814                  1.383                  7.518
 ROA1   Fr= 1--      73.671                 98.251               -223.116
 CID1   Fr= 1--      90.465                 71.024                -29.678
 Raman2 Fr= 1--       0.349                  0.579                  3.188
 ROA2   Fr= 1--      14.926                 19.886                -41.429
 CID2   Fr= 1--      42.769                 34.321                -12.996
 Raman3 Fr= 1--       0.698                  1.159                  6.376
 ROA3   Fr= 1--      73.671                 98.251               -223.116
 CID3   Fr= 1--     105.546                 84.785                -34.996
 RC180  Fr= 1--       0.714                  0.675                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      2.9890                 2.6575                 0.0319
  Dep-P Fr= 1--      0.7452                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8540                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4255                 0.3796                 0.0046
 AlphaG Fr= 1--     -0.0014                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.8587                -0.8465                -0.0616
 Delta2 Fr= 1--     -0.0438                -0.0140                -0.0164
 Raman1 Fr= 1--      11.956                 10.630                  0.128
 ROA1   Fr= 1--     -83.837                -81.713                 -6.440
 CID1   Fr= 1--      -7.012                 -7.687                -50.493
 Raman2 Fr= 1--       5.105                  4.556                  0.055
 ROA2   Fr= 1--     -20.259                -20.204                 -1.348
 CID2   Fr= 1--      -3.968                 -4.435                -24.671
 Raman3 Fr= 1--      10.211                  9.111                  0.109
 ROA3   Fr= 1--     -83.837                -81.713                 -6.440
 CID3   Fr= 1--      -8.211                 -8.968                -58.944
 RC180  Fr= 1--       0.708                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     16.9551                 1.8094                 0.5480
  Dep-P Fr= 1--      0.0873                 0.5497                 0.6824
  Dep-U Fr= 1--      0.1606                 0.7094                 0.8112
 Alpha2 Fr= 1--      0.3062                 0.0069                 0.0007
 Beta2  Fr= 1--      0.4537                 0.2139                 0.0741
 AlphaG Fr= 1--      0.0473                -0.0172                 0.0012
 Gamma2 Fr= 1--      4.3189                -0.6701                -0.3767
 Delta2 Fr= 1--      0.6058                -0.2490                 0.0083
 Raman1 Fr= 1--      67.821                  7.238                  2.192
 ROA1   Fr= 1--     433.998                -72.295                -35.901
 CID1   Fr= 1--       6.399                 -9.989                -16.379
 Raman2 Fr= 1--       5.445                  2.567                  0.889
 ROA2   Fr= 1--      98.807                -14.089                 -9.108
 CID2   Fr= 1--      18.146                 -5.488                -10.244
 Raman3 Fr= 1--      10.890                  5.134                  1.778
 ROA3   Fr= 1--     433.998                -72.295                -35.901
 CID3   Fr= 1--      39.853                -14.081                -20.190
 RC180  Fr= 1--      -0.679                  0.419                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      1.9455                 3.0928                 2.4830
  Dep-P Fr= 1--      0.0935                 0.7500                 0.7500
  Dep-U Fr= 1--      0.1711                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0346                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0555                 0.4418                 0.3547
 AlphaG Fr= 1--      0.0614                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1180                -0.5257                -2.2871
 Delta2 Fr= 1--     -0.0924                -0.1850                -0.0060
 Raman1 Fr= 1--       7.782                 12.371                  9.932
 ROA1   Fr= 1--     -14.287                -56.392               -219.757
 CID1   Fr= 1--      -1.836                 -4.558                -22.126
 Raman2 Fr= 1--       0.666                  5.302                  4.256
 ROA2   Fr= 1--      -2.093                -11.137                -54.843
 CID2   Fr= 1--      -3.144                 -2.101                -12.885
 Raman3 Fr= 1--       1.331                 10.604                  8.513
 ROA3   Fr= 1--     -14.287                -56.392               -219.757
 CID3   Fr= 1--     -10.733                 -5.318                -25.814
 RC180  Fr= 1--      -0.658                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.8910                 3.9224                 4.9236
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7487
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1273                 0.5603                 0.7027
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0031
 Gamma2 Fr= 1--     -0.3660                 0.8430                -2.2215
 Delta2 Fr= 1--     -0.0818                 0.0239                -0.0419
 Raman1 Fr= 1--       3.564                 15.690                 19.694
 ROA1   Fr= 1--     -37.751                 81.690               -214.601
 CID1   Fr= 1--     -10.592                  5.207                -10.897
 Raman2 Fr= 1--       1.527                  6.724                  8.432
 ROA2   Fr= 1--      -8.128                 20.040                -52.980
 CID2   Fr= 1--      -5.322                  2.980                 -6.283
 Raman3 Fr= 1--       3.055                 13.448                 16.865
 ROA3   Fr= 1--     -37.751                 81.690               -214.601
 CID3   Fr= 1--     -12.358                  6.074                -12.725
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      4.7597                 4.9183                47.4954
  Dep-P Fr= 1--      0.7499                 0.7499                 0.0024
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0048
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.0496
 Beta2  Fr= 1--      0.6799                 0.7026                 0.0377
 AlphaG Fr= 1--      0.0015                -0.0000                 0.1427
 Gamma2 Fr= 1--      0.7569                 1.4259                -0.7643
 Delta2 Fr= 1--     -0.0723                -0.1659                 0.0742
 Raman1 Fr= 1--      19.039                 19.673                189.981
 ROA1   Fr= 1--      70.348                131.574                -70.998
 CID1   Fr= 1--       3.695                  6.688                 -0.374
 Raman2 Fr= 1--       8.159                  8.431                  0.452
 ROA2   Fr= 1--      18.744                 35.547                -18.937
 CID2   Fr= 1--       2.297                  4.216                -41.866
 Raman3 Fr= 1--      16.318                 16.862                  0.905
 ROA3   Fr= 1--      70.348                131.574                -70.998
 CID3   Fr= 1--       4.311                  7.803                -78.480
 RC180  Fr= 1--       0.714                  0.714                 -0.990
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.7841                 0.1820                 0.0830
  Dep-P Fr= 1--      0.2415                 0.7497                 0.7496
  Dep-U Fr= 1--      0.3890                 0.8569                 0.8569
 Alpha2 Fr= 1--      0.0095                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0508                 0.0260                 0.0118
 AlphaG Fr= 1--     -0.0180                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.7728                -0.4209                 0.1628
 Delta2 Fr= 1--      0.5057                -0.1299                 0.1143
 Raman1 Fr= 1--       3.136                  0.728                  0.332
 ROA1   Fr= 1--      90.371                -44.567                 19.290
 CID1   Fr= 1--      28.814                -61.221                 58.128
 Raman2 Fr= 1--       0.610                  0.312                  0.142
 ROA2   Fr= 1--      14.502                 -9.063                  2.993
 CID2   Fr= 1--      23.772                -29.057                 21.054
 Raman3 Fr= 1--       1.220                  0.624                  0.284
 ROA3   Fr= 1--      90.371                -44.567                 19.290
 CID3   Fr= 1--      74.068                -71.441                 67.837
 RC180  Fr= 1--      -0.222                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.4708                 1.7644                 0.7978
  Dep-P Fr= 1--      0.7498                 0.0488                 0.5465
  Dep-U Fr= 1--      0.8570                 0.0931                 0.7068
 Alpha2 Fr= 1--      0.0000                 0.0349                 0.0031
 Beta2  Fr= 1--      0.0673                 0.0274                 0.0940
 AlphaG Fr= 1--     -0.0000                 0.0007                -0.0912
 Gamma2 Fr= 1--      2.2227                 1.8213                -2.4389
 Delta2 Fr= 1--     -0.0142                -0.0815                 0.2264
 Raman1 Fr= 1--       1.883                  7.057                  3.191
 ROA1   Fr= 1--     212.928                172.234               -226.891
 CID1   Fr= 1--     113.062                 24.405                -71.101
 Raman2 Fr= 1--       0.807                  0.329                  1.128
 ROA2   Fr= 1--      53.458                 44.363                -60.346
 CID2   Fr= 1--      66.242                135.018                -53.512
 Raman3 Fr= 1--       1.614                  0.657                  2.255
 ROA3   Fr= 1--     212.928                172.234               -226.891
 CID3   Fr= 1--     131.922                262.094               -100.598
 RC180  Fr= 1--       0.714                 -0.814                  0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0751                 0.9341                 0.8161
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7480
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0107                 0.1334                 0.1164
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0005
 Gamma2 Fr= 1--     -0.2611                 1.4852                -1.2501
 Delta2 Fr= 1--     -0.0231                 0.1803                -0.0014
 Raman1 Fr= 1--       0.300                  3.736                  3.264
 ROA1   Fr= 1--     -25.807                148.352               -120.053
 CID1   Fr= 1--     -85.922                 39.707                -36.777
 Raman2 Fr= 1--       0.129                  1.601                  1.397
 ROA2   Fr= 1--      -6.082                 34.203                -29.990
 CID2   Fr= 1--     -47.253                 21.360                -21.469
 Raman3 Fr= 1--       0.257                  3.202                  2.794
 ROA3   Fr= 1--     -25.807                148.352               -120.053
 CID3   Fr= 1--    -100.246                 46.324                -42.972
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.5150                 1.2892                 4.7517
  Dep-P Fr= 1--      0.7500                 0.7477                 0.2099
  Dep-U Fr= 1--      0.8571                 0.8557                 0.3470
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0628
 Beta2  Fr= 1--      0.0736                 0.1839                 0.2748
 AlphaG Fr= 1--      0.0000                 0.0008                -0.0101
 Gamma2 Fr= 1--      0.9606                 0.5889                 1.0026
 Delta2 Fr= 1--      1.1207                 0.5274                -0.1020
 Raman1 Fr= 1--       2.060                  5.157                 19.007
 ROA1   Fr= 1--     128.081                 73.411                 92.983
 CID1   Fr= 1--      62.180                 14.236                  4.892
 Raman2 Fr= 1--       0.883                  2.206                  3.297
 ROA2   Fr= 1--      14.089                  9.915                 24.878
 CID2   Fr= 1--      15.959                  4.494                  7.545
 Raman3 Fr= 1--       1.766                  4.413                  6.595
 ROA3   Fr= 1--     128.081                 73.411                 92.983
 CID3   Fr= 1--      72.543                 16.637                 14.100
 RC180  Fr= 1--       0.714                  0.711                 -0.306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      6.0890                 2.8393                 0.3007
  Dep-P Fr= 1--      0.0973                 0.7474                 0.7499
  Dep-U Fr= 1--      0.1773                 0.8555                 0.8571
 Alpha2 Fr= 1--      0.1073                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1799                 0.4048                 0.0430
 AlphaG Fr= 1--      0.0127                -0.0000                 0.0000
 Gamma2 Fr= 1--     -1.0459                -1.3168                 0.2599
 Delta2 Fr= 1--     -1.5481                -0.7748                -0.0012
 Raman1 Fr= 1--      24.356                 11.357                  1.203
 ROA1   Fr= 1--    -149.941               -151.204                 24.915
 CID1   Fr= 1--      -6.156                -13.314                 20.713
 Raman2 Fr= 1--       2.159                  4.858                  0.516
 ROA2   Fr= 1--     -12.716                -25.403                  6.249
 CID2   Fr= 1--      -5.890                 -5.229                 12.121
 Raman3 Fr= 1--       4.318                  9.715                  1.031
 ROA3   Fr= 1--    -149.941               -151.204                 24.915
 CID3   Fr= 1--     -34.728                -15.563                 24.166
 RC180  Fr= 1--      -0.645                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.6915                 3.8527                 3.9306
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0988                 0.5504                 0.5615
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0002
 Gamma2 Fr= 1--      0.1624                 0.3491                 0.6998
 Delta2 Fr= 1--     -0.3471                 0.6015                -1.4083
 Raman1 Fr= 1--       2.766                 15.411                 15.723
 ROA1   Fr= 1--       4.481                 52.761                 22.112
 CID1   Fr= 1--       1.620                  3.424                  1.406
 Raman2 Fr= 1--       1.185                  6.605                  6.738
 ROA2   Fr= 1--       6.674                  3.566                 28.060
 CID2   Fr= 1--       5.631                  0.540                  4.165
 Raman3 Fr= 1--       2.371                 13.209                 13.476
 ROA3   Fr= 1--       4.481                 52.761                 22.112
 CID3   Fr= 1--       1.890                  3.994                  1.641
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.0375                 0.1242                 0.3574
  Dep-P Fr= 1--      0.0944                 0.7494                 0.5163
  Dep-U Fr= 1--      0.1725                 0.8568                 0.6810
 Alpha2 Fr= 1--      0.0184                 0.0000                 0.0016
 Beta2  Fr= 1--      0.0298                 0.0177                 0.0406
 AlphaG Fr= 1--     -0.0199                -0.0000                 0.0501
 Gamma2 Fr= 1--      0.8560                 0.6990                -0.5777
 Delta2 Fr= 1--      0.0955                -0.1169                 0.0288
 Raman1 Fr= 1--       4.150                  0.497                  1.429
 ROA1   Fr= 1--      85.235                 63.366                -54.541
 CID1   Fr= 1--      20.539                127.578                -38.156
 Raman2 Fr= 1--       0.358                  0.213                  0.487
 ROA2   Fr= 1--      19.781                 17.713                -14.096
 CID2   Fr= 1--      55.262                 83.246                -28.962
 Raman3 Fr= 1--       0.716                  0.426                  0.973
 ROA3   Fr= 1--      85.235                 63.366                -54.541
 CID3   Fr= 1--     119.063                148.904                -56.030
 RC180  Fr= 1--      -0.655                  0.714                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.4870                 1.6148                 0.8679
  Dep-P Fr= 1--      0.7434                 0.5880                 0.1803
  Dep-U Fr= 1--      0.8528                 0.7405                 0.3055
 Alpha2 Fr= 1--      0.0001                 0.0049                 0.0124
 Beta2  Fr= 1--      0.0692                 0.1993                 0.0442
 AlphaG Fr= 1--      0.0003                 0.0297                -0.0235
 Gamma2 Fr= 1--     -1.3989                -1.3863                 1.1003
 Delta2 Fr= 1--     -1.5587                -0.4918                 0.4526
 Raman1 Fr= 1--       1.948                  6.459                  3.472
 ROA1   Fr= 1--    -184.176               -148.821                120.109
 CID1   Fr= 1--     -94.542                -23.040                 34.599
 Raman2 Fr= 1--       0.831                  2.392                  0.530
 ROA2   Fr= 1--     -21.104                -29.337                 22.786
 CID2   Fr= 1--     -25.407                -12.267                 42.975
 Raman3 Fr= 1--       1.661                  4.783                  1.060
 ROA3   Fr= 1--    -184.176               -148.821                120.109
 CID3   Fr= 1--    -110.862                -31.113                113.264
 RC180  Fr= 1--       0.706                  0.481                 -0.389
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.6614                 0.7230                 0.3530
  Dep-P Fr= 1--      0.7478                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8557                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0943                 0.1032                 0.0504
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.5505                -0.3050                 0.0995
 Delta2 Fr= 1--      0.1708                -0.0531                -0.0554
 Raman1 Fr= 1--       2.646                  2.892                  1.412
 ROA1   Fr= 1--      58.312                -30.977                  7.782
 CID1   Fr= 1--      22.041                -10.712                  5.512
 Raman2 Fr= 1--       1.132                  1.239                  0.605
 ROA2   Fr= 1--      11.846                 -6.896                  2.832
 CID2   Fr= 1--      10.465                 -5.565                  4.681
 Raman3 Fr= 1--       2.264                  2.478                  1.210
 ROA3   Fr= 1--      58.312                -30.977                  7.782
 CID3   Fr= 1--      25.757                -12.501                  6.431
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      8.0955                 8.2672                 8.9551
  Dep-P Fr= 1--      0.7500                 0.7369                 0.3351
  Dep-U Fr= 1--      0.8571                 0.8486                 0.5020
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0824
 Beta2  Fr= 1--      1.1565                 1.1692                 0.7493
 AlphaG Fr= 1--      0.0000                 0.0299                 0.0964
 Gamma2 Fr= 1--     -2.8386                 0.2318                -2.4852
 Delta2 Fr= 1--      2.7611                 4.2100                -5.5497
 Raman1 Fr= 1--      32.382                 33.069                 35.820
 ROA1   Fr= 1--    -184.155                156.968               -416.169
 CID1   Fr= 1--      -5.687                  4.747                -11.618
 Raman2 Fr= 1--      13.878                 14.030                  8.992
 ROA2   Fr= 1--     -90.216                -28.117                -15.248
 CID2   Fr= 1--      -6.501                 -2.004                 -1.696
 Raman3 Fr= 1--      27.756                 28.061                 17.983
 ROA3   Fr= 1--    -184.155                156.968               -416.169
 CID3   Fr= 1--      -6.635                  5.594                -23.142
 RC180  Fr= 1--       0.714                  0.697                  0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      5.5530                 4.9973                 0.8853
  Dep-P Fr= 1--      0.7471                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8553                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.7915                 0.7139                 0.1265
 AlphaG Fr= 1--     -0.0007                 0.0000                 0.0000
 Gamma2 Fr= 1--      4.8351                -0.7986                -0.3997
 Delta2 Fr= 1--      0.3661                 0.0036                -0.1460
 Raman1 Fr= 1--      22.212                 19.989                  3.541
 ROA1   Fr= 1--     475.882                -76.550                -43.039
 CID1   Fr= 1--      21.425                 -3.830                -12.154
 Raman2 Fr= 1--       9.498                  8.567                  1.518
 ROA2   Fr= 1--     113.113                -19.195                 -8.424
 CID2   Fr= 1--      11.909                 -2.241                 -5.551
 Raman3 Fr= 1--      18.997                 17.134                  3.035
 ROA3   Fr= 1--     475.882                -76.550                -43.039
 CID3   Fr= 1--      25.051                 -4.468                -14.179
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.3569                 5.7179                 4.1179
  Dep-P Fr= 1--      0.7462                 0.1057                 0.4883
  Dep-U Fr= 1--      0.8547                 0.1911                 0.6562
 Alpha2 Fr= 1--      0.0000                 0.0987                 0.0215
 Beta2  Fr= 1--      0.0508                 0.1821                 0.4503
 AlphaG Fr= 1--     -0.0000                 0.0045                -0.0027
 Gamma2 Fr= 1--      0.0943                -1.1820                -0.0145
 Delta2 Fr= 1--     -0.2224                -0.6991                 0.5451
 Raman1 Fr= 1--       1.427                 22.871                 16.472
 ROA1   Fr= 1--       1.941               -135.844                 16.053
 CID1   Fr= 1--       1.360                 -5.939                  0.975
 Raman2 Fr= 1--       0.610                  2.186                  5.404
 ROA2   Fr= 1--       4.043                -22.775                 -4.709
 CID2   Fr= 1--       6.629                -10.420                 -0.871
 Raman3 Fr= 1--       1.220                  4.371                 10.808
 ROA3   Fr= 1--       1.941               -135.844                 16.053
 CID3   Fr= 1--       1.591                -31.077                  1.485
 RC180  Fr= 1--       0.709                 -0.618                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      0.6987                 3.2273                 2.4787
  Dep-P Fr= 1--      0.7500                 0.7323                 0.2312
  Dep-U Fr= 1--      0.8571                 0.8455                 0.3755
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0310
 Beta2  Fr= 1--      0.0998                 0.4548                 0.1551
 AlphaG Fr= 1--      0.0000                 0.0113                -0.0301
 Gamma2 Fr= 1--      3.2809                 0.0534                -0.4475
 Delta2 Fr= 1--      1.6080                -0.9116                -0.0948
 Raman1 Fr= 1--       2.795                 12.909                  9.915
 ROA1   Fr= 1--     366.426                -24.045                -45.996
 CID1   Fr= 1--     131.106                 -1.863                 -4.639
 Raman2 Fr= 1--       1.198                  5.457                  1.862
 ROA2   Fr= 1--      65.878                  8.574                 -9.982
 CID2   Fr= 1--      54.999                  1.571                 -5.362
 Raman3 Fr= 1--       2.396                 10.914                  3.723
 ROA3   Fr= 1--     366.426                -24.045                -45.996
 CID3   Fr= 1--     152.957                 -2.203                -12.354
 RC180  Fr= 1--       0.714                  0.691                 -0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      7.2566                12.1785                 4.4686
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.0367                 1.7392                 0.6384
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      7.4615                -9.7975                -2.0540
 Delta2 Fr= 1--      1.2491                -0.7711                 0.2716
 Raman1 Fr= 1--      29.026                 48.714                 17.874
 ROA1   Fr= 1--     756.277               -965.233               -188.488
 CID1   Fr= 1--      26.055                -19.814                -10.545
 Raman2 Fr= 1--      12.440                 20.870                  7.660
 ROA2   Fr= 1--     169.083               -228.970                -51.468
 CID2   Fr= 1--      13.592                -10.971                 -6.719
 Raman3 Fr= 1--      24.880                 41.740                 15.321
 ROA3   Fr= 1--     756.277               -965.233               -188.488
 CID3   Fr= 1--      30.397                -23.125                -12.303
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.2183                 2.0904                 0.6292
  Dep-P Fr= 1--      0.7500                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1740                 0.2985                 0.0899
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0000
 Gamma2 Fr= 1--     -1.6214                 3.0081                 0.8965
 Delta2 Fr= 1--     -0.6638                 1.4349                 0.4557
 Raman1 Fr= 1--       4.873                  8.362                  2.517
 ROA1   Fr= 1--    -176.891                334.691                100.641
 CID1   Fr= 1--     -36.300                 40.027                 39.991
 Raman2 Fr= 1--       2.088                  3.582                  1.079
 ROA2   Fr= 1--     -33.603                 60.714                 17.869
 CID2   Fr= 1--     -16.090                 16.948                 16.568
 Raman3 Fr= 1--       4.177                  7.165                  2.157
 ROA3   Fr= 1--    -176.891                334.691                100.641
 CID3   Fr= 1--     -42.350                 46.713                 46.656
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.3765                 0.6209                 0.4786
  Dep-P Fr= 1--      0.7500                 0.7033                 0.6882
  Dep-U Fr= 1--      0.8571                 0.8258                 0.8153
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0005
 Beta2  Fr= 1--      0.0538                 0.0855                 0.0650
 AlphaG Fr= 1--     -0.0000                -0.0170                 0.0155
 Gamma2 Fr= 1--     -1.5177                 0.5518                -0.3455
 Delta2 Fr= 1--     -1.0141                 0.4614                -0.3702
 Raman1 Fr= 1--       1.506                  2.484                  1.914
 ROA1   Fr= 1--    -178.150                 67.734                -45.016
 CID1   Fr= 1--    -118.306                 27.271                -23.517
 Raman2 Fr= 1--       0.645                  1.026                  0.780
 ROA2   Fr= 1--     -28.312                  9.552                 -5.331
 CID2   Fr= 1--     -43.871                  9.314                 -6.831
 Raman3 Fr= 1--       1.291                  2.051                  1.561
 ROA3   Fr= 1--    -178.150                 67.734                -45.016
 CID3   Fr= 1--    -138.024                 33.024                -28.844
 RC180  Fr= 1--       0.714                  0.652                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      5.8828                 7.0363                 3.1041
  Dep-P Fr= 1--      0.4081                 0.5804                 0.7484
  Dep-U Fr= 1--      0.5796                 0.7345                 0.8561
 Alpha2 Fr= 1--      0.0423                 0.0224                 0.0001
 Beta2  Fr= 1--      0.5683                 0.8614                 0.4429
 AlphaG Fr= 1--      0.0671                 0.0328                 0.0008
 Gamma2 Fr= 1--     -2.0255                -1.8767                -1.2643
 Delta2 Fr= 1--     -0.9553                -0.6639                -0.7668
 Raman1 Fr= 1--      23.531                 28.145                 12.416
 ROA1   Fr= 1--    -225.014               -201.411               -145.907
 CID1   Fr= 1--      -9.562                 -7.156                -11.751
 Raman2 Fr= 1--       6.820                 10.336                  5.315
 ROA2   Fr= 1--     -40.969                -39.730                -24.207
 CID2   Fr= 1--      -6.007                 -3.844                 -4.555
 Raman3 Fr= 1--      13.639                 20.673                 10.629
 ROA3   Fr= 1--    -225.014               -201.411               -145.907
 CID3   Fr= 1--     -16.497                 -9.743                -13.727
 RC180  Fr= 1--       0.159                  0.469                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     13.0137                10.1260                 1.3438
  Dep-P Fr= 1--      0.6982                 0.2972                 0.7466
  Dep-U Fr= 1--      0.8223                 0.4582                 0.8550
 Alpha2 Fr= 1--      0.0118                 0.1047                 0.0001
 Beta2  Fr= 1--      1.7835                 0.7732                 0.1915
 AlphaG Fr= 1--      0.0535                -0.1941                -0.0001
 Gamma2 Fr= 1--      4.0661                -1.7194                 2.4973
 Delta2 Fr= 1--      1.0534                -0.2693                 0.8863
 Raman1 Fr= 1--      52.055                 40.504                  5.375
 ROA1   Fr= 1--     424.049               -173.677                268.101
 CID1   Fr= 1--       8.146                 -4.288                 49.876
 Raman2 Fr= 1--      21.402                  9.279                  2.298
 ROA2   Fr= 1--      89.158                -39.111                 52.844
 CID2   Fr= 1--       4.166                 -4.215                 22.998
 Raman3 Fr= 1--      42.803                 18.557                  4.596
 ROA3   Fr= 1--     424.049               -173.677                268.101
 CID3   Fr= 1--       9.907                 -9.359                 58.338
 RC180  Fr= 1--       0.645                 -0.084                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0052                 5.3387                 4.3640
  Dep-P Fr= 1--      0.7499                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0007                 0.7625                 0.6234
 AlphaG Fr= 1--     -0.0000                 0.0014                 0.0000
 Gamma2 Fr= 1--     -0.0072                -0.6093                 2.9770
 Delta2 Fr= 1--     -0.0180                 2.9173                 3.5552
 Raman1 Fr= 1--       0.021                 21.355                 17.456
 ROA1   Fr= 1--      -1.268                 34.864                399.558
 CID1   Fr= 1--     -61.260                  1.633                 22.890
 Raman2 Fr= 1--       0.009                  9.150                  7.481
 ROA2   Fr= 1--      -0.029                -37.961                 43.007
 CID2   Fr= 1--      -3.233                 -4.149                  5.749
 Raman3 Fr= 1--       0.018                 18.301                 14.962
 ROA3   Fr= 1--      -1.268                 34.864                399.558
 CID3   Fr= 1--     -71.473                  1.905                 26.704
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     11.2494                 3.8515                 1.5184
  Dep-P Fr= 1--      0.7491                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8565                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      1.6059                 0.5502                 0.2169
 AlphaG Fr= 1--      0.0030                -0.0004                -0.0000
 Gamma2 Fr= 1--    -13.9946                 6.7605                 3.6282
 Delta2 Fr= 1--     -5.5396                 1.3382                 0.3328
 Raman1 Fr= 1--      44.997                 15.406                  6.073
 ROA1   Fr= 1--   -1520.752                691.828                358.954
 CID1   Fr= 1--     -33.796                 44.907                 59.102
 Raman2 Fr= 1--      19.271                  6.602                  2.603
 ROA2   Fr= 1--    -291.555                151.546                 84.414
 CID2   Fr= 1--     -15.129                 22.955                 32.430
 Raman3 Fr= 1--      38.542                 13.204                  5.206
 ROA3   Fr= 1--   -1520.752                691.828                358.954
 CID3   Fr= 1--     -39.457                 52.396                 68.952
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    359.9203               102.9562               209.7596
  Dep-P Fr= 1--      0.0228                 0.0878                 0.0400
  Dep-U Fr= 1--      0.0447                 0.1615                 0.0768
 Alpha2 Fr= 1--      7.5813                 1.8569                 4.2435
 Beta2  Fr= 1--      2.6801                 2.7707                 2.6861
 AlphaG Fr= 1--     -1.4565                -0.3598                 0.3014
 Gamma2 Fr= 1--    -22.8888                14.6700                 8.6053
 Delta2 Fr= 1--    -12.8326                11.4857                 7.0706
 Raman1 Fr= 1--    1439.681                411.825                839.038
 ROA1   Fr= 1--   -2607.964               1775.857               1052.370
 CID1   Fr= 1--      -1.811                  4.312                  1.254
 Raman2 Fr= 1--      32.162                 33.248                 32.233
 ROA2   Fr= 1--    -446.669                260.194                149.962
 CID2   Fr= 1--     -13.888                  7.826                  4.652
 Raman3 Fr= 1--      64.323                 66.497                 64.467
 ROA3   Fr= 1--   -2607.964               1775.857               1052.370
 CID3   Fr= 1--     -40.545                 26.706                 16.324
 RC180  Fr= 1--      -0.911                 -0.677                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     77.2681                21.1496                46.9738
  Dep-P Fr= 1--      0.5291                 0.7451                 0.7495
  Dep-U Fr= 1--      0.6920                 0.8539                 0.8568
 Alpha2 Fr= 1--      0.3307                 0.0018                 0.0004
 Beta2  Fr= 1--      8.9122                 3.0100                 6.7081
 AlphaG Fr= 1--     -0.1052                -0.0005                 0.0000
 Gamma2 Fr= 1--     10.1047                10.3127                -8.0668
 Delta2 Fr= 1--      7.4454                 5.1760                -6.2733
 Raman1 Fr= 1--     309.072                 84.598                187.895
 ROA1   Fr= 1--    1208.304               1155.651               -975.162
 CID1   Fr= 1--       3.909                 13.660                 -5.190
 Raman2 Fr= 1--     106.946                 36.120                 80.497
 ROA2   Fr= 1--     182.949                206.097               -143.417
 CID2   Fr= 1--       1.711                  5.706                 -1.782
 Raman3 Fr= 1--     213.893                 72.240                160.994
 ROA3   Fr= 1--    1208.304               1155.651               -975.162
 CID3   Fr= 1--       5.649                 15.997                 -6.057
 RC180  Fr= 1--       0.384                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    131.2749               164.7701               145.8268
  Dep-P Fr= 1--      0.7483                 0.2240                 0.3339
  Dep-U Fr= 1--      0.8560                 0.3660                 0.5007
 Alpha2 Fr= 1--      0.0037                 2.0981                 1.3477
 Beta2  Fr= 1--     18.7295                10.0509                12.1683
 AlphaG Fr= 1--      0.0003                 0.1807                -0.6809
 Gamma2 Fr= 1--    -56.2356                 1.9915                31.8624
 Delta2 Fr= 1--    -41.3619                 4.5768                 9.7867
 Raman1 Fr= 1--     525.100                659.080                583.307
 ROA1   Fr= 1--   -6722.202                337.645               3371.962
 CID1   Fr= 1--     -12.802                  0.512                  5.781
 Raman2 Fr= 1--     224.755                120.610                146.020
 ROA2   Fr= 1--   -1018.761                 11.183                686.404
 CID2   Fr= 1--      -4.533                  0.093                  4.701
 Raman3 Fr= 1--     449.509                241.221                292.039
 ROA3   Fr= 1--   -6722.202                337.645               3371.962
 CID3   Fr= 1--     -14.955                  1.400                 11.546
 RC180  Fr= 1--       0.712                 -0.268                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     29.1842                71.1248                50.9064
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0000
 Beta2  Fr= 1--      4.1691                10.1553                 7.2723
 AlphaG Fr= 1--      0.0001                 0.0019                -0.0000
 Gamma2 Fr= 1--     18.9806                39.4067               -31.3625
 Delta2 Fr= 1--      3.3884                 3.6480                -2.7705
 Raman1 Fr= 1--     116.737                284.499                203.625
 ROA1   Fr= 1--    1930.570               3899.775              -3099.455
 CID1   Fr= 1--      16.538                 13.708                -15.221
 Raman2 Fr= 1--      50.029                121.864                 87.268
 ROA2   Fr= 1--     428.428                916.577               -730.536
 CID2   Fr= 1--       8.564                  7.521                 -8.371
 Raman3 Fr= 1--     100.058                243.727                174.536
 ROA3   Fr= 1--    1930.570               3899.775              -3099.455
 CID3   Fr= 1--      19.294                 16.001                -17.758
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      4.9958                 1.5000                 1.9517
  Dep-P Fr= 1--      0.7096                 0.7228                 0.7295
  Dep-U Fr= 1--      0.8301                 0.8391                 0.8436
 Alpha2 Fr= 1--      0.0035                 0.0007                 0.0007
 Beta2  Fr= 1--      0.6912                 0.2098                 0.2744
 AlphaG Fr= 1--      0.0071                 0.0122                 0.0139
 Gamma2 Fr= 1--     13.2131                 3.8053                 5.5340
 Delta2 Fr= 1--     -0.0341                -0.5104                -0.6558
 Raman1 Fr= 1--      19.983                  6.000                  7.807
 ROA1   Fr= 1--    1267.362                348.974                510.279
 CID1   Fr= 1--      63.421                 58.162                 65.363
 Raman2 Fr= 1--       8.294                  2.517                  3.293
 ROA2   Fr= 1--     317.386                 95.410                138.063
 CID2   Fr= 1--      38.265                 37.900                 41.927
 Raman3 Fr= 1--      16.589                  5.035                  6.586
 ROA3   Fr= 1--    1267.362                348.974                510.279
 CID3   Fr= 1--      76.399                 69.313                 77.481
 RC180  Fr= 1--       0.660                  0.678                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     25.6737                17.7663               470.0652
  Dep-P Fr= 1--      0.6613                 0.7240                 0.0115
  Dep-U Fr= 1--      0.7961                 0.8399                 0.0227
 Alpha2 Fr= 1--      0.0406                 0.0079                10.1697
 Beta2  Fr= 1--      3.4066                 2.4871                 1.7752
 AlphaG Fr= 1--     -0.0686                -0.0047                 0.0620
 Gamma2 Fr= 1--     -2.6537                -5.2844               -11.6772
 Delta2 Fr= 1--     -1.2617                 1.1897                -2.8312
 Raman1 Fr= 1--     102.695                 71.065               1880.261
 ROA1   Fr= 1--    -295.128               -469.237              -1211.611
 CID1   Fr= 1--      -2.874                 -6.603                 -0.644
 Raman2 Fr= 1--      40.879                 29.845                 21.303
 ROA2   Fr= 1--     -53.595               -136.344               -257.603
 CID2   Fr= 1--      -1.311                 -4.568                -12.093
 Raman3 Fr= 1--      81.758                 59.690                 42.605
 ROA3   Fr= 1--    -295.128               -469.237              -1211.611
 CID3   Fr= 1--      -3.610                 -7.861                -28.438
 RC180  Fr= 1--       0.592                  0.680                 -0.955
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     24.0060                21.8701                28.0115
  Dep-P Fr= 1--      0.7440                 0.5589                 0.6952
  Dep-U Fr= 1--      0.8532                 0.7171                 0.8202
 Alpha2 Fr= 1--      0.0025                 0.0794                 0.0268
 Beta2  Fr= 1--      3.4136                 2.6138                 3.8291
 AlphaG Fr= 1--      0.0102                 0.3017                -0.1073
 Gamma2 Fr= 1--    -34.0801                35.9055               -24.4484
 Delta2 Fr= 1--    -13.2051                18.1127               -11.0510
 Raman1 Fr= 1--      96.024                 87.480                112.046
 ROA1   Fr= 1--   -3694.253               4026.532              -2700.677
 CID1   Fr= 1--     -38.472                 46.028                -24.103
 Raman2 Fr= 1--      40.964                 31.365                 45.949
 ROA2   Fr= 1--    -712.282                716.829               -498.354
 CID2   Fr= 1--     -17.388                 22.854                -10.846
 Raman3 Fr= 1--      81.927                 62.730                 91.899
 ROA3   Fr= 1--   -3694.253               4026.532              -2700.677
 CID3   Fr= 1--     -45.092                 64.188                -29.388
 RC180  Fr= 1--       0.706                  0.434                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--      9.8270                44.3586                20.4762
  Dep-P Fr= 1--      0.7037                 0.7041                 0.7438
  Dep-U Fr= 1--      0.8261                 0.8263                 0.8531
 Alpha2 Fr= 1--      0.0079                 0.0354                 0.0022
 Beta2  Fr= 1--      1.3529                 6.1092                 2.9113
 AlphaG Fr= 1--     -0.0248                 0.2528                 0.0134
 Gamma2 Fr= 1--    -11.0178                46.2658               -19.5654
 Delta2 Fr= 1--     -4.0920                 6.5043                 2.4021
 Raman1 Fr= 1--      39.308                177.434                 81.905
 ROA1   Fr= 1--   -1188.651               4649.648              -1801.410
 CID1   Fr= 1--     -30.239                 26.205                -21.994
 Raman2 Fr= 1--      16.235                 73.310                 34.936
 ROA2   Fr= 1--    -231.691               1058.344               -488.786
 CID2   Fr= 1--     -14.271                 14.436                -13.991
 Raman3 Fr= 1--      32.471                146.621                 69.871
 ROA3   Fr= 1--   -1188.651               4649.648              -1801.410
 CID3   Fr= 1--     -36.607                 31.712                -25.782
 RC180  Fr= 1--       0.652                  0.653                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.159952D+03 -0.839941D-03 -0.166059D-02
      2  -0.839941D-03  0.158372D+03  0.814159D-01
      3  -0.166059D-02  0.814159D-01  0.125256D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.135228D+01 -0.376358D-01  0.424544D-02
      2  -0.182128D-01  0.297270D+01 -0.235092D+01
      3  -0.121017D-01 -0.215544D+01 -0.344681D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.913475D+02 -0.536949D+00  0.196213D-01
      2   0.982250D+02  0.571815D+00  0.126816D-01
      3  -0.687747D+01 -0.348659D-01 -0.323029D-01
      4  -0.555342D+00  0.101254D+03 -0.544760D+01
      5  -0.664872D-01  0.131260D+01 -0.102157D+02
      6  -0.101732D+02 -0.774709D-01 -0.589698D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.456061D+01 -0.394890D+01  0.331757D+01 -0.549770D+01  0.123461D+01
      2  -0.394890D+01  0.801688D+00 -0.518391D+00  0.123461D+01  0.277271D+01
      3   0.331757D+01 -0.518391D+00  0.770062D+00 -0.114082D+01  0.280547D+01
                 6             7             8             9            10 
      1  -0.114082D+01  0.231635D+01 -0.727302D+00  0.904078D+00  0.450862D+01
      2   0.280547D+01 -0.727302D+00  0.227167D+01  0.742590D+00  0.395507D+01
      3   0.601054D+00  0.904078D+00  0.742590D+00 -0.223478D+00 -0.330561D+01
                11            12            13            14            15 
      1   0.395507D+01 -0.330561D+01  0.551400D+01  0.129731D+01 -0.113365D+01
      2   0.854718D+00 -0.509447D+00  0.129731D+01 -0.275794D+01 -0.281000D+01
      3  -0.509447D+00  0.757944D+00 -0.113365D+01 -0.281000D+01 -0.597478D+00
                16            17            18            19            20 
      1  -0.230196D+01 -0.714049D+00  0.897152D+00 -0.898458D+01 -0.451672D+01
      2  -0.714049D+00 -0.227425D+01 -0.739014D+00 -0.451672D+01 -0.141029D+01
      3   0.897152D+00 -0.739014D+00  0.225062D+00  0.493472D+01  0.133294D+01
                21            22            23            24            25 
      1   0.493472D+01 -0.151036D+01 -0.692364D+00  0.177536D+00  0.302726D+01
      2   0.133294D+01 -0.692364D+00  0.156120D+01  0.134756D+01  0.112341D+01
      3  -0.196930D+01  0.177536D+00  0.134756D+01 -0.718545D+00 -0.186525D+01
                26            27            28            29            30 
      1   0.112341D+01 -0.186525D+01  0.153295D+01  0.105086D-01  0.358444D-02
      2   0.175671D+01 -0.996406D+00  0.105086D-01 -0.181726D+01 -0.147450D+01
      3  -0.996406D+00 -0.158239D+01  0.358444D-02 -0.147450D+01  0.207120D+00
                31            32            33            34            35 
      1   0.139707D-01 -0.176564D+01  0.173552D+01  0.861824D-02 -0.862214D-01
      2  -0.176564D+01 -0.546457D-02  0.203586D-02 -0.862214D-01  0.143902D-01
      3   0.173552D+01  0.203586D-02  0.375103D-02  0.107591D+00  0.382193D-02
                36            37            38            39            40 
      1   0.107591D+00  0.504666D+01  0.392895D+01 -0.182504D+01  0.589081D+01
      2   0.382193D-02  0.392895D+01  0.146030D+01 -0.291051D+01  0.350527D+01
      3   0.346283D-02 -0.182504D+01 -0.291051D+01  0.180770D+01 -0.355995D+01
                41            42            43            44            45 
      1   0.350527D+01 -0.355995D+01 -0.140333D+01 -0.178171D+01  0.239932D+01
      2   0.321661D+01 -0.254661D+01 -0.178171D+01 -0.132092D+01 -0.860790D-01
      3  -0.254661D+01  0.539812D+00  0.239932D+01 -0.860790D-01  0.654579D+00
                46            47            48            49            50 
      1  -0.295546D+01 -0.100878D+01 -0.257083D+00 -0.213015D+01 -0.249327D+01
      2  -0.100878D+01 -0.105945D+01  0.313448D+01 -0.249327D+01 -0.144078D+01
      3  -0.257083D+00  0.313448D+01 -0.195723D+01  0.316842D+01  0.261735D+01
                51            52            53            54            55 
      1   0.316842D+01  0.910630D-01  0.417550D+01 -0.273089D+01  0.861669D+00
      2   0.261735D+01  0.417550D+01  0.315174D+01 -0.712590D+00 -0.100372D+01
      3  -0.192632D+00 -0.273089D+01 -0.712590D+00  0.325842D+00  0.924018D+00
                56            57            58            59            60 
      1  -0.100372D+01  0.924018D+00 -0.358518D+00 -0.406763D+00 -0.274316D+01
      2  -0.205577D+01 -0.275261D+01 -0.406763D+00 -0.529401D+01 -0.321845D+01
      3  -0.275261D+01  0.941490D+00 -0.274316D+01 -0.321845D+01 -0.153765D+01
                61            62            63            64            65 
      1   0.135550D+01 -0.332410D+01  0.871450D+00  0.128399D+01  0.370562D+00
      2  -0.332410D+01 -0.450973D+01 -0.244817D+01  0.370562D+00  0.351048D+01
      3   0.871450D+00 -0.244817D+01 -0.195814D+00 -0.612333D+00  0.215610D+01
                66            67            68            69            70 
      1  -0.612333D+00 -0.365701D+00  0.850041D+00  0.153592D+01 -0.353814D+00
      2   0.215610D+01  0.850041D+00  0.110061D+02  0.460216D+01  0.922903D+00
      3  -0.525229D+00  0.153592D+01  0.460216D+01  0.158686D+01 -0.128481D+01
                71            72            73            74            75 
      1   0.922903D+00 -0.128481D+01 -0.900460D+01  0.449190D+01 -0.493614D+01
      2   0.281495D+01  0.189097D+01  0.449190D+01 -0.136888D+01  0.132575D+01
      3   0.189097D+01 -0.694408D+00 -0.493614D+01  0.132575D+01 -0.198182D+01
                76            77            78            79            80 
      1   0.147752D+01 -0.660179D+00  0.164245D+00 -0.303466D+01  0.112572D+01
      2  -0.660179D+00 -0.157044D+01 -0.134874D+01  0.112572D+01 -0.175895D+01
      3   0.164245D+00 -0.134874D+01  0.700374D+00 -0.187746D+01  0.981517D+00
                81            82            83            84            85 
      1  -0.187746D+01  0.508433D+01 -0.392299D+01  0.183726D+01 -0.589153D+01
      2   0.981517D+00 -0.392299D+01  0.145306D+01 -0.292347D+01  0.348795D+01
      3   0.158366D+01  0.183726D+01 -0.292347D+01  0.180236D+01 -0.357348D+01
                86            87            88            89            90 
      1   0.348795D+01 -0.357348D+01  0.140053D+01 -0.178613D+01  0.239165D+01
      2  -0.319893D+01  0.252026D+01 -0.178613D+01  0.130248D+01  0.943642D-01
      3   0.252026D+01 -0.534508D+00  0.239165D+01  0.943642D-01 -0.645263D+00
                91            92            93            94            95 
      1  -0.297207D+01  0.100521D+01  0.231333D+00  0.213352D+01 -0.249719D+01
      2   0.100521D+01 -0.107290D+01  0.315340D+01 -0.249719D+01  0.143292D+01
      3   0.231333D+00  0.315340D+01 -0.194721D+01  0.318515D+01 -0.259237D+01
                96            97            98            99           100 
      1   0.318515D+01 -0.120982D+00  0.419126D+01 -0.272043D+01  0.849871D+00
      2  -0.259237D+01  0.419126D+01 -0.311704D+01  0.695445D+00  0.102354D+01
      3   0.179338D+00 -0.272043D+01  0.695445D+00 -0.331696D+00 -0.895705D+00
               101           102           103           104           105 
      1   0.102354D+01 -0.895705D+00  0.366249D+00 -0.406243D+00 -0.276201D+01
      2  -0.206049D+01 -0.277547D+01 -0.406243D+00  0.524950D+01  0.318554D+01
      3  -0.277547D+01  0.921895D+00 -0.276201D+01  0.318554D+01  0.154982D+01
               106           107           108           109           110 
      1  -0.132290D+01 -0.335170D+01  0.846882D+00  0.128832D+01 -0.382738D+00
      2  -0.335170D+01  0.448114D+01  0.246599D+01 -0.382738D+00  0.354399D+01
      3   0.846882D+00  0.246599D+01  0.207550D+00  0.593085D+00  0.217637D+01
               111           112           113           114           115 
      1   0.593085D+00  0.364112D+00  0.886528D+00  0.155439D+01  0.344762D+00
      2   0.217637D+01  0.886528D+00 -0.109722D+02 -0.458470D+01  0.935885D+00
      3  -0.514018D+00  0.155439D+01 -0.458470D+01 -0.159482D+01 -0.127237D+01
               116           117           118           119           120 
      1   0.935885D+00 -0.127237D+01  0.504447D+01  0.257652D+00  0.145296D+01
      2  -0.282383D+01 -0.190873D+01  0.257652D+00  0.137361D+01 -0.272131D+00
      3  -0.190873D+01  0.692338D+00  0.145296D+01 -0.272131D+00  0.146184D+01
               121           122           123           124           125 
      1  -0.831169D+00  0.815368D+00 -0.530312D+00  0.272795D+01 -0.403927D+00
      2   0.815368D+00 -0.916205D+00  0.349231D+00 -0.403927D+00  0.941485D+00
      3  -0.530312D+00  0.349231D+00 -0.424200D+00  0.193847D+01  0.519316D-02
               126           127           128           129           130 
      1   0.193847D+01  0.442772D+01  0.284379D+01 -0.152352D+01  0.301281D+01
      2   0.519316D-02  0.284379D+01  0.260899D+01 -0.140266D+01  0.319845D+01
      3   0.209497D+01 -0.152352D+01 -0.140266D+01  0.144326D+01 -0.149390D+01
               131           132           133           134           135 
      1   0.319845D+01 -0.149390D+01 -0.273004D+01 -0.276486D+01  0.244388D+01
      2   0.542985D+01 -0.201750D+01 -0.276486D+01 -0.311829D+01  0.235919D+01
      3  -0.201750D+01  0.160393D+01  0.244388D+01  0.235919D+01 -0.271165D+01
               136           137           138           139           140 
      1  -0.249618D+01  0.103184D+01 -0.101592D+01  0.941161D+00 -0.106656D+01
      2   0.103184D+01 -0.232099D+01  0.842110D+00 -0.106656D+01  0.356612D+01
      3  -0.101592D+01  0.842110D+00 -0.116431D+01  0.546442D+00 -0.828842D+00
               141           142           143           144           145 
      1   0.546442D+00 -0.177111D+01  0.978640D+00 -0.100198D+01  0.144970D+01
      2  -0.828842D+00  0.978640D+00 -0.187944D+01  0.167945D+01  0.199151D+01
      3   0.101348D+01 -0.100198D+01  0.167945D+01 -0.218078D+01  0.566692D+00
               146           147           148           149           150 
      1   0.199151D+01  0.566692D+00  0.157462D+01  0.193470D+01  0.844576D+00
      2   0.235838D+01  0.935529D+00  0.193470D+01  0.914001D+01  0.280957D+01
      3   0.935529D+00  0.613203D+00  0.844576D+00  0.280957D+01  0.196491D+01
               151           152           153           154           155 
      1   0.562682D+00  0.150117D+01  0.755921D+00 -0.248037D+01 -0.103405D+01
      2   0.150117D+01  0.514448D+01  0.314246D+01 -0.103405D+01 -0.232201D+01
      3   0.755921D+00  0.314246D+01  0.248414D+01  0.100612D+01  0.843143D+00
               156           157           158           159           160 
      1   0.100612D+01 -0.947882D+00 -0.106471D+01  0.547641D+00  0.175840D+01
      2   0.843143D+00 -0.106471D+01 -0.359835D+01  0.836380D+00  0.979445D+00
      3  -0.115649D+01  0.547641D+00  0.836380D+00 -0.102108D+01 -0.990784D+00
               161           162           163           164           165 
      1   0.979445D+00 -0.990784D+00  0.147493D+01 -0.200466D+01 -0.578700D+00
      2   0.189285D+01 -0.168439D+01 -0.200466D+01  0.238293D+01  0.950097D+00
      3  -0.168439D+01  0.217270D+01 -0.578700D+00  0.950097D+00  0.627227D+00
               166           167           168           169           170 
      1  -0.158309D+01  0.195210D+01  0.855756D+00 -0.579460D+00  0.152364D+01
      2   0.195210D+01 -0.908228D+01 -0.280415D+01  0.152364D+01 -0.513922D+01
      3   0.855756D+00 -0.280415D+01 -0.196664D+01  0.774002D+00 -0.314749D+01
               171           172           173           174           175 
      1   0.774002D+00  0.504326D+01 -0.240860D+00 -0.144667D+01  0.850087D+00
      2  -0.314749D+01 -0.240860D+00  0.137120D+01 -0.279346D+00  0.816593D+00
      3  -0.249864D+01 -0.144667D+01 -0.279346D+00  0.145767D+01 -0.536630D+00
               176           177           178           179           180 
      1   0.816593D+00 -0.536630D+00 -0.271716D+01 -0.415775D+00  0.193349D+01
      2   0.935656D+00 -0.352529D+00 -0.415775D+00 -0.944594D+00  0.571881D-02
      3  -0.352529D+00  0.432252D+00  0.193349D+01  0.571881D-02 -0.208836D+01
               181           182           183           184           185 
      1   0.446309D+01 -0.285183D+01  0.153329D+01 -0.302293D+01  0.320218D+01
      2  -0.285183D+01  0.261414D+01 -0.140563D+01  0.320218D+01 -0.540488D+01
      3   0.153329D+01 -0.140563D+01  0.144714D+01 -0.149617D+01  0.200562D+01
               186           187           188           189           190 
      1  -0.149617D+01  0.274594D+01 -0.276549D+01  0.244854D+01  0.458816D+01
      2   0.200562D+01 -0.276549D+01  0.309616D+01 -0.234850D+01  0.801550D+00
      3  -0.159752D+01  0.244854D+01 -0.234850D+01  0.270645D+01  0.190411D+01
               191           192           193           194           195 
      1   0.801550D+00  0.190411D+01  0.263040D+01  0.109356D+00  0.183672D+01
      2   0.186815D+01  0.690683D+00  0.109356D+00  0.209426D+01 -0.556693D-01
      3   0.690683D+00  0.161027D+01  0.183672D+01 -0.556693D-01  0.146649D+01
               196           197           198           199           200 
      1   0.104059D+01  0.965304D+00  0.971717D+00 -0.163774D+01  0.129913D+01
      2   0.965304D+00  0.152532D+00  0.565772D+00  0.129913D+01 -0.103063D+01
      3   0.971717D+00  0.565772D+00  0.179458D+01 -0.121902D+00  0.989038D+00
               201           202           203           204           205 
      1  -0.121902D+00 -0.100389D+00  0.458602D-01  0.261853D+00  0.136592D+01
      2   0.989038D+00  0.458602D-01 -0.124658D+01  0.936900D+00 -0.335809D+00
      3  -0.167482D+01  0.261853D+00  0.936900D+00 -0.139155D+01  0.264565D+00
               206           207           208           209           210 
      1  -0.335809D+00  0.264565D+00 -0.354609D+01 -0.100895D+01 -0.156925D+01
      2   0.148680D+01 -0.136932D+01 -0.100895D+01 -0.384295D+01 -0.199173D+01
      3  -0.136932D+01  0.581033D+01 -0.156925D+01 -0.199173D+01 -0.197336D+01
               211           212           213           214           215 
      1  -0.161872D+01 -0.128438D+01 -0.930253D+00 -0.125508D+01 -0.829143D+00
      2  -0.128438D+01 -0.156772D+01 -0.339603D+00 -0.829143D+00 -0.487820D-02
      3  -0.930253D+00 -0.339603D+00 -0.752367D+00 -0.943184D+00 -0.638521D+00
               216           217           218           219           220 
      1  -0.943184D+00  0.866427D+00 -0.688412D+00 -0.124132D+01 -0.423409D+00
      2  -0.638521D+00 -0.688412D+00  0.170330D+01  0.508604D+00 -0.777001D-01
      3  -0.183756D+01 -0.124132D+01  0.508604D+00  0.204755D+01 -0.217010D+00
               221           222           223           224           225 
      1  -0.777001D-01 -0.217010D+00 -0.119098D+01  0.241053D+00  0.109781D+01
      2   0.202811D+01  0.330920D+00  0.241053D+00 -0.169243D+01 -0.945062D+00
      3   0.330920D+00  0.630162D+00  0.109781D+01 -0.945062D+00 -0.564252D+01
               226           227           228           229           230 
      1   0.395733D+00  0.466009D+00  0.754920D+00  0.283562D+01 -0.121331D+01
      2   0.466009D+00 -0.103679D+01 -0.102807D+00 -0.121331D+01  0.581853D+01
      3   0.754920D+00 -0.102807D+00  0.169645D+00  0.969342D+00 -0.978730D+00
               231           232           233           234           235 
      1   0.969342D+00  0.178583D+01 -0.388283D+00  0.529991D+00  0.795829D+00
      2  -0.978730D+00 -0.388283D+00  0.621580D-01  0.462203D+00 -0.696172D+00
      3   0.138485D+01  0.529991D+00  0.462203D+00 -0.258088D+00  0.443655D-02
               236           237           238           239           240 
      1  -0.696172D+00  0.443655D-02 -0.123868D+01  0.103282D+00 -0.430548D+00
      2  -0.389400D-01 -0.360407D+00  0.103282D+00  0.723990D+00 -0.545159D+00
      3  -0.360407D+00  0.659736D+00 -0.430548D+00 -0.545159D+00 -0.356182D+00
               241           242           243           244           245 
      1  -0.210617D+01  0.298167D+00 -0.105863D+01 -0.355627D+01  0.101689D+01
      2   0.298167D+00 -0.111706D+01  0.120310D+01  0.101689D+01 -0.384330D+01
      3  -0.105863D+01  0.120310D+01 -0.714456D+01  0.158172D+01 -0.198836D+01
               246           247           248           249           250 
      1   0.158172D+01  0.161542D+01 -0.128057D+01 -0.926230D+00  0.126085D+01
      2  -0.198836D+01 -0.128057D+01  0.154359D+01  0.329726D+00 -0.824819D+00
      3  -0.197795D+01 -0.926230D+00  0.329726D+00  0.746980D+00 -0.946652D+00
               251           252           253           254           255 
      1  -0.824819D+00 -0.946652D+00  0.864308D+00  0.687596D+00  0.124411D+01
      2   0.231636D-02  0.638884D+00  0.687596D+00  0.171873D+01  0.516636D+00
      3   0.638884D+00  0.184170D+01  0.124411D+01  0.516636D+00  0.205570D+01
               256           257           258           259           260 
      1   0.428231D+00 -0.656102D-01 -0.211176D+00  0.119027D+01  0.241097D+00
      2  -0.656102D-01 -0.202009D+01 -0.328516D+00  0.241097D+00  0.169696D+01
      3  -0.211176D+00 -0.328516D+00 -0.617021D+00  0.109857D+01  0.954965D+00
               261           262           263           264           265 
      1   0.109857D+01  0.461146D+01 -0.798257D+00 -0.190582D+01 -0.261962D+01
      2   0.954965D+00 -0.798257D+00  0.187629D+01  0.681821D+00  0.109741D+00
      3   0.564274D+01 -0.190582D+01  0.681821D+00  0.160749D+01  0.182580D+01
               266           267           268           269           270 
      1   0.109741D+00  0.182580D+01 -0.103567D+01  0.963656D+00  0.963974D+00
      2  -0.209089D+01  0.681540D-01  0.963656D+00 -0.139028D+00 -0.561896D+00
      3   0.681540D-01 -0.145459D+01  0.963974D+00 -0.561896D+00 -0.177942D+01
               271           272           273           274           275 
      1  -0.162469D+01 -0.130226D+01  0.118951D+00  0.901435D-01  0.390249D-01
      2  -0.130226D+01 -0.103717D+01  0.987169D+00  0.390249D-01  0.123574D+01
      3   0.118951D+00  0.987169D+00 -0.167279D+01  0.262684D+00 -0.927704D+00
               276           277           278           279           280 
      1   0.262684D+00 -0.136863D+01 -0.340790D+00  0.269257D+00 -0.103247D+01
      2  -0.927704D+00 -0.340790D+00 -0.148962D+01  0.136443D+01 -0.684967D+00
      3   0.137697D+01  0.269257D+00  0.136443D+01 -0.582285D+01 -0.102038D+01
               281           282           283           284           285 
      1  -0.684967D+00 -0.102038D+01 -0.173567D+01 -0.125906D+01 -0.617729D+00
      2  -0.401204D+00 -0.170676D+00 -0.125906D+01 -0.410594D+01 -0.202708D+01
      3  -0.170676D+00 -0.433860D+00 -0.617729D+00 -0.202708D+01 -0.232814D+01
               286           287           288           289           290 
      1  -0.172401D+01 -0.398313D+00 -0.943149D+00 -0.946483D+01  0.236377D+01
      2  -0.398313D+00 -0.154068D+01 -0.142301D+01  0.236377D+01 -0.164952D+01
      3  -0.943149D+00 -0.142301D+01 -0.220320D+01 -0.259732D+01  0.628954D+00
               291           292           293           294           295 
      1  -0.259732D+01  0.462085D+01 -0.248012D+01  0.146282D+01 -0.283789D+01
      2   0.628954D+00 -0.248012D+01  0.138870D+01 -0.123584D+01  0.779756D+00
      3  -0.192648D+01  0.146282D+01 -0.123584D+01  0.938935D+00 -0.240054D+01
               296           297           298           299           300 
      1   0.779756D+00 -0.240054D+01 -0.943165D+01 -0.238761D+01  0.257921D+01
      2  -0.781983D+00  0.617436D+00 -0.238761D+01 -0.166564D+01  0.631265D+00
      3   0.617436D+00 -0.155420D+01  0.257921D+01  0.631265D+00 -0.191526D+01
               301           302           303           304           305 
      1  -0.465029D+01 -0.250666D+01  0.146453D+01  0.281773D+01  0.783241D+00
      2  -0.250666D+01 -0.141811D+01  0.124087D+01  0.783241D+00  0.785090D+00
      3   0.146453D+01  0.124087D+01 -0.944335D+00 -0.238926D+01 -0.625142D+00
               306           307           308           309           310 
      1  -0.238926D+01 -0.105399D+01  0.690376D+00  0.102428D+01  0.174715D+01
      2  -0.625142D+00  0.690376D+00 -0.418856D+00 -0.178153D+00 -0.127524D+01
      3   0.154277D+01  0.102428D+01 -0.178153D+00 -0.445370D+00 -0.626866D+00
               311           312           313           314           315 
      1  -0.127524D+01 -0.626866D+00  0.172787D+01 -0.401921D+00 -0.950256D+00
      2   0.409501D+01  0.202224D+01 -0.401921D+00  0.153634D+01  0.141851D+01
      3   0.202224D+01  0.232569D+01 -0.950256D+00  0.141851D+01  0.220004D+01
               316           317           318           319           320 
      1   0.784024D+00  0.700208D+00 -0.156797D-02  0.124834D+01  0.113195D+00
      2   0.700208D+00 -0.328021D-01 -0.359660D+00  0.113195D+00 -0.717963D+00
      3  -0.156797D-02 -0.359660D+00  0.651549D+00 -0.435169D+00  0.540637D+00
               321           322           323           324           325 
      1  -0.435169D+00  0.210428D+01  0.302380D+00 -0.106078D+01  0.414869D+00
      2   0.540637D+00  0.302380D+00  0.111635D+01 -0.119597D+01 -0.454185D+00
      3   0.371518D+00 -0.106078D+01 -0.119597D+01  0.714697D+01 -0.758084D+00
               326           327           328           329           330 
      1  -0.454185D+00 -0.758084D+00 -0.282918D+01 -0.120597D+01  0.965722D+00
      2  -0.101410D+01 -0.108128D+00 -0.120597D+01 -0.582987D+01  0.991576D+00
      3  -0.108128D+00  0.174655D+00  0.965722D+00  0.991576D+00 -0.138790D+01
               331           332           333 
      1  -0.177855D+01 -0.391880D+00  0.528111D+00
      2  -0.391880D+00 -0.546531D-01 -0.461725D+00
      3   0.528111D+00 -0.461725D+00  0.264968D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.235005D+01 -0.339976D+00  0.289072D-01  0.489730D+00 -0.209683D+01
      2  -0.266267D+01 -0.682204D+01  0.775499D+01 -0.685862D+01 -0.845044D+01
      3  -0.830181D+01 -0.185836D+01  0.300319D+01  0.221733D+01  0.102626D+02
                 6             7             8             9            10 
      1  -0.435856D+01  0.941631D+00 -0.738443D+00 -0.359372D+00  0.235571D+01
      2  -0.583504D+01  0.219306D+01  0.544241D-02 -0.118005D+01  0.270952D+01
      3   0.906559D+01  0.274405D+01  0.984333D+01  0.293993D+01  0.832423D+01
                11            12            13            14            15 
      1   0.403855D+00 -0.472412D-01 -0.429063D+00 -0.210950D+01 -0.436894D+01
      2  -0.685717D+01  0.774763D+01 -0.691850D+01  0.837362D+01  0.583619D+01
      3  -0.171870D+01  0.305567D+01  0.235924D+01 -0.102443D+02 -0.905072D+01
                16            17            18            19            20 
      1  -0.945770D+00 -0.730480D+00 -0.355737D+00  0.418935D+00  0.673129D+01
      2   0.215911D+01 -0.205341D-01  0.119895D+01 -0.143544D+02  0.127244D+01
      3   0.279879D+01 -0.984199D+01 -0.292589D+01 -0.743883D+01  0.481663D+01
                21            22            23            24            25 
      1   0.960543D+00  0.147343D+02  0.138995D+02 -0.831696D+01  0.802503D+01
      2  -0.426613D+01 -0.159719D+01 -0.247778D+01 -0.534891D+00 -0.199236D+02
      3  -0.856573D+00  0.207654D+02  0.153839D+02 -0.748707D+01  0.219863D+01
                26            27            28            29            30 
      1   0.569967D+01 -0.115338D+02 -0.265188D+01 -0.898436D-02  0.100350D-01
      2  -0.727810D+01  0.192061D+02 -0.153200D-01  0.207363D+01  0.407665D+01
      3  -0.267496D+01  0.656923D+00 -0.299299D-03 -0.653242D+01  0.143615D+01
                31            32            33            34            35 
      1  -0.213464D-01  0.548678D+00 -0.380389D+01  0.291382D-03  0.314491D+01
      2   0.132394D+00 -0.754985D-03 -0.732073D-02 -0.270124D+01  0.868885D-02
      3   0.446644D+01  0.160057D-01  0.234184D-01  0.733753D+00  0.974723D-02
                36            37            38            39            40 
      1   0.880516D-01 -0.763241D+01  0.743490D+01  0.740992D+01  0.808686D+01
      2  -0.127871D-01 -0.160678D+02 -0.689366D+01  0.648743D+01  0.159539D+01
      3  -0.388234D-03 -0.212903D+02 -0.234142D+01  0.114972D+02  0.131780D+02
                41            42            43            44            45 
      1   0.843074D+01 -0.186326D+01  0.100267D+02  0.722334D+01 -0.659907D+01
      2  -0.661959D+00 -0.933748D+01 -0.140215D+02 -0.143890D+02  0.154976D+02
      3   0.128806D+02 -0.490339D+01  0.517678D+01 -0.481262D+01  0.250988D+01
                46            47            48            49            50 
      1   0.565887D+01 -0.397058D+01  0.353204D+01 -0.258239D+01 -0.712961D+01
      2  -0.371015D+01  0.527781D+01 -0.280275D+01  0.324216D+01  0.504555D+01
      3  -0.474045D+01  0.177750D+01 -0.846960D+01  0.808396D+01 -0.250826D+01
                51            52            53            54            55 
      1  -0.686227D+01  0.248970D+01 -0.262113D+01  0.858851D+00 -0.483562D+00
      2   0.332284D+01 -0.497715D+01  0.364876D+01 -0.864762D+00 -0.109550D+01
      3  -0.370725D+01 -0.122390D+02 -0.132069D+01 -0.602164D+01  0.750483D+01
                56            57            58            59            60 
      1   0.734738D+01 -0.763236D+01  0.955833D+01  0.220179D+01 -0.311838D-02
      2  -0.324441D+01  0.462822D+01 -0.311793D+01  0.700898D+00  0.630940D+00
      3  -0.628924D+01  0.126454D+01 -0.348429D+00 -0.693812D+00 -0.890181D+01
                61            62            63            64            65 
      1  -0.666477D+01  0.199472D+01 -0.918229D+00  0.343208D+00  0.234495D+01
      2   0.275633D+00  0.486086D+00  0.329345D+00 -0.287310D+01  0.139764D+02
      3   0.531881D+01 -0.109947D+02  0.641737D+01  0.329068D+00 -0.258147D+02
                66            67            68            69            70 
      1   0.690711D+01 -0.356025D+01 -0.137161D+02  0.327686D+01  0.619029D+01
      2   0.999427D+01  0.880874D+01 -0.375962D+01 -0.471255D+01  0.115459D+01
      3  -0.102580D+02 -0.918224D+01  0.820062D+01  0.774110D+01 -0.638712D+01
                71            72            73            74            75 
      1   0.233189D+02  0.159521D+02  0.461100D+00 -0.679275D+01 -0.893821D+00
      2  -0.938395D+00  0.182795D+01  0.144231D+02  0.127563D+01 -0.419898D+01
      3   0.214797D+01 -0.238197D+01  0.736949D+01  0.487606D+01 -0.870972D+00
                76            77            78            79            80 
      1  -0.147653D+02  0.138229D+02 -0.829474D+01 -0.797625D+01  0.567575D+01
      2  -0.162095D+01  0.254273D+01  0.517646D+00 -0.199079D+02  0.726416D+01
      3   0.207769D+02 -0.152885D+02  0.745243D+01  0.220057D+01  0.267481D+01
                81            82            83            84            85 
      1  -0.114643D+02 -0.763694D+01 -0.745242D+01 -0.746319D+01 -0.814370D+01
      2  -0.192565D+02  0.159903D+02 -0.689980D+01  0.643467D+01  0.162833D+01
      3  -0.689797D+00  0.212029D+02 -0.228522D+01  0.115130D+02  0.132863D+02
                86            87            88            89            90 
      1   0.838111D+01 -0.191458D+01 -0.100180D+02  0.713482D+01 -0.655451D+01
      2   0.631790D+00  0.939522D+01 -0.140718D+02  0.143761D+02 -0.154718D+02
      3  -0.128616D+02  0.497021D+01  0.516775D+01  0.485204D+01 -0.251183D+01
                91            92            93            94            95 
      1   0.562144D+01  0.400860D+01 -0.346230D+01  0.262612D+01 -0.705532D+01
      2   0.370824D+01  0.533260D+01 -0.277159D+01  0.327314D+01 -0.500317D+01
      3   0.471662D+01  0.184278D+01 -0.849215D+01  0.810050D+01  0.254669D+01
                96            97            98            99           100 
      1  -0.688411D+01 -0.242936D+01 -0.265120D+01  0.836263D+00 -0.401928D+00
      2  -0.338370D+01 -0.494157D+01 -0.370965D+01  0.853855D+00  0.112965D+01
      3   0.364089D+01 -0.122309D+02  0.123194D+01  0.602098D+01 -0.745170D+01
               101           102           103           104           105 
      1  -0.738796D+01  0.756944D+01 -0.959406D+01  0.218263D+01  0.750161D-01
      2  -0.326884D+01  0.464907D+01 -0.315441D+01 -0.716107D+00 -0.612576D+00
      3  -0.636995D+01  0.121544D+01 -0.396246D+00  0.613410D+00  0.893177D+01
               106           107           108           109           110 
      1   0.660253D+01  0.206390D+01 -0.879542D+00  0.318985D+00 -0.234587D+01
      2   0.285776D+00 -0.477172D+00 -0.324449D+00  0.279922D+01  0.139568D+02
      3   0.524933D+01  0.110529D+02 -0.636829D+01 -0.214968D+00 -0.257674D+02
               111           112           113           114           115 
      1  -0.695130D+01  0.358986D+01 -0.137587D+02  0.319723D+01 -0.626261D+01
      2   0.994341D+01  0.882101D+01  0.380000D+01  0.476557D+01  0.112245D+01
      3  -0.102170D+02 -0.914648D+01 -0.832214D+01 -0.777997D+01 -0.636352D+01
               116           117           118           119           120 
      1   0.232935D+02  0.159728D+02 -0.428517D+01  0.111613D+01 -0.315790D+01
      2   0.101870D+01 -0.177942D+01  0.514749D+01 -0.114478D+01  0.550188D+01
      3  -0.217431D+01  0.236813D+01  0.117495D+02 -0.480346D+01  0.491802D+01
               121           122           123           124           125 
      1   0.154348D+01 -0.106487D+01  0.683835D+00 -0.430059D+01  0.230967D+01
      2  -0.189607D+01  0.138535D+01 -0.219913D+01  0.432712D+01 -0.649419D+00
      3  -0.376774D+01  0.720736D+01 -0.287041D+01  0.837825D+01 -0.516474D+01
               126           127           128           129           130 
      1  -0.602372D+01  0.159839D+01  0.109814D+01 -0.366759D+01  0.204832D+01
      2   0.706740D+01 -0.829110D+00 -0.131502D+01  0.370967D+01 -0.177321D+01
      3   0.490623D+01  0.468191D+01 -0.578729D+00 -0.813538D+00  0.114585D+01
               131           132           133           134           135 
      1   0.108187D+01 -0.420866D+01 -0.192357D+01  0.215432D+00  0.542819D+01
      2  -0.239576D+01  0.362443D+01  0.108361D+01  0.198814D+01 -0.494476D+01
      3  -0.549653D+01  0.712195D+00  0.902077D+00  0.376671D+01  0.273923D+00
               136           137           138           139           140 
      1   0.462906D+01 -0.335777D+01  0.517230D+01 -0.245785D+01  0.339787D+01
      2  -0.967130D+00  0.628273D+00  0.400975D+00  0.573621D+00 -0.659799D+00
      3  -0.123666D+02  0.333828D+01 -0.504543D+01  0.438212D+01 -0.665135D+01
               141           142           143           144           145 
      1  -0.402315D+01  0.434586D+01 -0.406479D+01  0.909536D+01 -0.440478D+00
      2   0.201526D+00 -0.230329D+01  0.507240D+00 -0.163100D+01 -0.398414D+00
      3   0.275370D+01 -0.864890D+01  0.462588D+01 -0.492422D+01  0.313693D+01
               146           147           148           149           150 
      1  -0.206296D+01 -0.196060D+01 -0.994809D+00 -0.386294D+01 -0.704669D+01
      2   0.144426D+00  0.943254D+00 -0.472962D+00  0.118868D+01  0.203214D+01
      3   0.344142D+01  0.878207D+00  0.527435D+01 -0.228209D+01 -0.371741D+00
               151           152           153           154           155 
      1  -0.459124D+00 -0.245541D+01 -0.681192D+01  0.458471D+01  0.337508D+01
      2  -0.144670D+01  0.454846D+00  0.212196D+01  0.965303D+00  0.639437D+00
      3   0.262423D+01  0.268175D+01 -0.381022D+00  0.123209D+02  0.339447D+01
               156           157           158           159           160 
      1  -0.514727D+01  0.247111D+01  0.342739D+01 -0.406342D+01 -0.430270D+01
      2   0.389003D+00  0.585458D+00  0.669498D+00 -0.216164D+00 -0.230171D+01
      3  -0.501449D+01  0.443338D+01  0.671114D+01 -0.277491D+01 -0.861383D+01
               161           162           163           164           165 
      1  -0.409844D+01  0.906822D+01 -0.462737D+00  0.207820D+01  0.200030D+01
      2  -0.534660D+00  0.165618D+01  0.401391D+00  0.156362D+00  0.963050D+00
      3  -0.466803D+01  0.490728D+01 -0.318453D+01  0.342539D+01  0.886127D+00
               166           167           168           169           170 
      1   0.102301D+01 -0.386392D+01 -0.703359D+01  0.490285D+00 -0.246780D+01
      2  -0.461863D+00 -0.120915D+01 -0.205653D+01 -0.144571D+01 -0.467488D+00
      3   0.524325D+01  0.230547D+01  0.366782D+00  0.264832D+01 -0.268328D+01
               171           172           173           174           175 
      1  -0.684368D+01 -0.425039D+01 -0.112807D+01  0.312612D+01 -0.155174D+01
      2  -0.216004D+01 -0.514715D+01 -0.117393D+01  0.549611D+01 -0.192202D+01
      3   0.365468D+00 -0.117327D+02 -0.485234D+01  0.491036D+01 -0.380968D+01
               176           177           178           179           180 
      1  -0.107933D+01  0.697200D+00  0.426062D+01  0.234080D+01 -0.598235D+01
      2  -0.141088D+01  0.223481D+01  0.432815D+01  0.689039D+00 -0.707115D+01
      3  -0.728077D+01  0.289850D+01  0.835341D+01  0.521206D+01 -0.490688D+01
               181           182           183           184           185 
      1   0.160146D+01 -0.109059D+01  0.366567D+01 -0.203686D+01  0.105420D+01
      2   0.840944D+00 -0.132265D+01  0.373320D+01 -0.178279D+01  0.237915D+01
      3  -0.469105D+01 -0.621350D+00 -0.807602D+00  0.110542D+01  0.549856D+01
               186           187           188           189           190 
      1  -0.418304D+01  0.191037D+01  0.230777D+00  0.540041D+01  0.443265D+01
      2  -0.362474D+01  0.108558D+01 -0.197040D+01  0.495211D+01 -0.320152D+01
      3  -0.709941D+00  0.910053D+00 -0.374519D+01 -0.275287D+00 -0.703881D+01
               191           192           193           194           195 
      1   0.412098D+01  0.318086D+01  0.388361D+01  0.580382D+01  0.179525D+01
      2  -0.956060D+00  0.785604D+00 -0.449648D+01  0.308212D+00 -0.204966D+00
      3  -0.600441D+01 -0.350084D+01 -0.576454D+01 -0.690525D+01 -0.311920D+01
               196           197           198           199           200 
      1   0.217781D+01  0.222982D+01  0.267855D+01  0.161409D+01 -0.195031D+01
      2   0.439764D+00  0.648630D+00  0.120002D+01  0.385852D-01  0.196614D+01
      3  -0.208995D+01 -0.587200D+00 -0.299847D+01 -0.172163D+01  0.225532D+01
               201           202           203           204           205 
      1  -0.650354D+00  0.506159D+00 -0.558581D+00 -0.857102D+00 -0.236890D-01
      2  -0.520859D+01  0.142131D+01  0.171568D+01 -0.288644D+01 -0.180376D+01
      3  -0.250717D+01  0.129170D+01  0.135880D+01 -0.184455D+01 -0.226568D+00
               206           207           208           209           210 
      1   0.170939D+01  0.401112D+01 -0.298331D+01  0.329017D+01 -0.202436D+01
      2  -0.268079D+01  0.114316D+02 -0.829747D+01 -0.318805D+01 -0.299287D+01
      3  -0.249149D+01  0.226840D+01  0.121574D+02  0.267572D+01  0.525480D+01
               211           212           213           214           215 
      1   0.136615D+00 -0.730996D+00 -0.167044D+01 -0.231710D+01 -0.404378D+00
      2  -0.179470D+01 -0.123759D+01 -0.116797D+01 -0.259688D+01 -0.548460D+00
      3   0.292014D+01  0.213874D+01  0.149323D+01  0.209908D+01  0.153859D+01
               216           217           218           219           220 
      1  -0.238441D+01 -0.216417D+01 -0.714995D+00  0.500703D+01 -0.220133D+00
      2  -0.178783D+01  0.189481D+01 -0.155367D+01 -0.141554D+01  0.705343D+00
      3   0.298508D+01 -0.231543D+01  0.960636D+00  0.288965D+01 -0.163079D-01
               221           222           223           224           225 
      1   0.159831D+00  0.244418D+01  0.208964D+01  0.387205D+00 -0.116280D+02
      2  -0.180062D+01 -0.119630D+01 -0.276243D+01  0.657498D+00  0.185479D+01
      3   0.257673D+01  0.118099D+01  0.239067D+01 -0.106566D+01 -0.234796D+01
               226           227           228           229           230 
      1   0.447287D-01 -0.871976D+00  0.561133D+00  0.188183D+01 -0.100136D+02
      2   0.123475D+01  0.687332D+00  0.139154D+01  0.305655D+01  0.681864D+00
      3   0.971549D+00  0.309318D+00 -0.214001D+00  0.172074D+01  0.121745D+02
               231           232           233           234           235 
      1  -0.212945D+00  0.186029D+01 -0.202550D+01 -0.993322D-02 -0.121888D+01
      2  -0.114180D+01  0.176304D+01 -0.176131D+01  0.818903D+00  0.190902D+01
      3  -0.135195D+01  0.813295D+00  0.201584D+01  0.664169D+00  0.163604D+01
               236           237           238           239           240 
      1   0.533725D+00 -0.161996D+01  0.697962D+00  0.141599D+00  0.146080D+01
      2   0.956991D+00 -0.209398D+01 -0.603604D+00  0.163480D+01  0.647568D+00
      3  -0.687649D+00 -0.380251D+00  0.351466D-01  0.564866D+00 -0.164388D+01
               241           242           243           244           245 
      1   0.148734D+01  0.832300D+00  0.693517D+01 -0.299503D+01 -0.327647D+01
      2  -0.195561D+01 -0.266847D+01  0.136962D+02  0.829146D+01 -0.318361D+01
      3  -0.248369D+01 -0.157964D+01  0.135621D+01 -0.121639D+02  0.264772D+01
               246           247           248           249           250 
      1   0.205030D+01 -0.135812D+00 -0.748613D+00 -0.166944D+01  0.233014D+01
      2  -0.298936D+01 -0.177210D+01  0.121459D+01  0.115268D+01 -0.259053D+01
      3   0.526286D+01  0.288608D+01 -0.212450D+01 -0.147817D+01  0.210812D+01
               251           252           253           254           255 
      1  -0.398056D+00 -0.239530D+01 -0.216698D+01  0.711658D+00 -0.502456D+01
      2   0.545138D+00  0.178255D+01 -0.190769D+01 -0.156755D+01 -0.143801D+01
      3  -0.154154D+01 -0.299380D+01  0.232317D+01  0.982425D+00  0.290282D+01
               256           257           258           259           260 
      1   0.208389D+00  0.142018D+00  0.240672D+01 -0.209145D+01  0.368738D+00
      2   0.690001D+00  0.179844D+01  0.119667D+01 -0.277101D+01 -0.670214D+00
      3  -0.925714D-03 -0.256752D+01 -0.117027D+01  0.239317D+01  0.107744D+01
               261           262           263           264           265 
      1  -0.116182D+02  0.444981D+01 -0.412824D+01 -0.316853D+01 -0.386845D+01
      2  -0.189878D+01  0.324632D+01 -0.972997D+00  0.778580D+00 -0.451336D+01
      3   0.236026D+01  0.709756D+01 -0.603638D+01 -0.349514D+01 -0.578056D+01
               266           267           268           269           270 
      1   0.579293D+01  0.176214D+01 -0.216737D+01  0.220775D+01  0.265451D+01
      2  -0.282194D+00  0.209351D+00  0.450232D+00 -0.640208D+00 -0.118581D+01
      3   0.690952D+01  0.308386D+01 -0.207138D+01  0.559028D+00  0.298061D+01
               271           272           273           274           275 
      1   0.159658D+01  0.194005D+01  0.670487D+00 -0.505042D+00 -0.541223D+00
      2  -0.259978D-01  0.197114D+01 -0.520598D+01  0.141992D+01 -0.169593D+01
      3   0.171928D+01  0.225467D+01 -0.249787D+01  0.129583D+01 -0.133381D+01
               276           277           278           279           280 
      1  -0.858634D+00  0.224692D-01  0.170964D+01  0.406238D+01  0.700721D+00
      2   0.284479D+01 -0.179245D+01  0.266992D+01 -0.114530D+02  0.399517D+01
      3   0.182790D+01 -0.225113D+00  0.249271D+01 -0.225203D+01 -0.268700D+01
               281           282           283           284           285 
      1   0.680798D-01  0.152935D+00  0.122423D+01  0.526120D+01  0.508120D+00
      2  -0.524749D+00  0.353129D+00 -0.776854D+00  0.610861D+01  0.838022D+01
      3  -0.942303D+00 -0.453301D+00 -0.105906D+01 -0.159561D+02 -0.738425D+01
               286           287           288           289           290 
      1   0.107092D+00  0.309150D+01  0.115833D+01 -0.129492D+01  0.162866D+01
      2  -0.602581D+00  0.510081D+01  0.629832D+01 -0.105224D+01 -0.259717D+00
      3  -0.969583D+00 -0.578892D+01 -0.571015D+01  0.456686D+01 -0.664763D+01
               291           292           293           294           295 
      1  -0.453324D-01  0.162887D+01 -0.141466D+01 -0.118111D+00 -0.109341D+00
      2   0.607135D+01  0.393656D+01  0.126565D+01 -0.153918D+01  0.252615D+01
      3   0.204131D+01 -0.315103D+01  0.476420D+01 -0.345900D+01  0.179013D-01
               296           297           298           299           300 
      1   0.138186D+01  0.169166D-01 -0.128893D+01 -0.162278D+01  0.189830D-01
      2  -0.155740D+01  0.290091D+01  0.103190D+01 -0.255488D+00  0.606362D+01
      3  -0.324828D+01  0.105320D+01 -0.455541D+01 -0.666168D+01  0.202605D+01
               301           302           303           304           305 
      1  -0.164916D+01 -0.142233D+01 -0.129982D+00  0.993229D-01  0.136985D+01
      2   0.395509D+01 -0.125062D+01  0.156782D+01  0.252407D+01  0.157212D+01
      3  -0.317198D+01 -0.482354D+01  0.346346D+01  0.105306D-01  0.324123D+01
               306           307           308           309           310 
      1   0.254942D-01  0.716948D+00 -0.948173D-01 -0.158169D+00 -0.124614D+01
      2  -0.287712D+01 -0.398649D+01 -0.503450D+00  0.399683D+00 -0.751922D+00
      3  -0.105597D+01  0.269123D+01 -0.102392D+01 -0.495099D+00 -0.115065D+01
               311           312           313           314           315 
      1   0.526085D+01  0.524952D+00 -0.122538D+00  0.310144D+01  0.117188D+01
      2  -0.608108D+01 -0.837641D+01 -0.567271D+00 -0.508474D+01 -0.629318D+01
      3   0.159511D+02  0.737667D+01 -0.100331D+01  0.578586D+01  0.570604D+01
               316           317           318           319           320 
      1  -0.120540D+01 -0.542788D+00  0.161472D+01 -0.708760D+00  0.147946D+00
      2  -0.190601D+01  0.943638D+00 -0.207231D+01 -0.612620D+00 -0.162979D+01
      3  -0.163904D+01 -0.699215D+00 -0.374522D+00  0.178178D-01 -0.559034D+00
               321           322           323           324           325 
      1   0.148517D+01 -0.148940D+01  0.822729D+00  0.699178D+01  0.656643D-01
      2  -0.677429D+00 -0.195662D+01  0.264339D+01 -0.136755D+02 -0.125980D+01
      3   0.164634D+01 -0.249126D+01  0.156369D+01 -0.132857D+01 -0.964272D+00
               326           327           328           329           330 
      1   0.908436D+00 -0.563998D+00 -0.186712D+01 -0.100096D+02 -0.199337D+00
      2   0.686358D+00  0.138657D+01  0.305314D+01 -0.721863D+00  0.115022D+01
      3   0.354165D+00 -0.227108D+00  0.173622D+01 -0.121662D+02  0.137861D+01
               331           332           333 
      1  -0.185428D+01 -0.201889D+01 -0.899253D-02
      2   0.174648D+01  0.176207D+01 -0.826013D+00
      3   0.806595D+00 -0.199026D+01 -0.665923D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236108D+02  0.250639D+02 -0.211786D+02  0.298142D+02 -0.314379D+01
      2   0.152147D+02 -0.145115D+02  0.105981D+02 -0.171958D+02  0.319367D+01
      3   0.839614D+01 -0.105523D+02  0.105804D+02 -0.126184D+02 -0.498799D-01
      4   0.222537D+02 -0.658221D+01  0.397528D+01 -0.817371D+01 -0.111500D+02
      5  -0.208109D+02  0.536307D+01 -0.705858D+01  0.912544D+01 -0.178835D+02
      6   0.707978D+01 -0.703871D+00 -0.665010D+00 -0.431510D+01 -0.479773D+01
                 6             7             8             9            10 
      1   0.706945D+01 -0.148755D+02  0.510939D+01 -0.371543D+01 -0.232569D+02
      2  -0.426037D+01  0.649088D+01 -0.328816D+01 -0.178312D+00  0.149062D+02
      3  -0.280909D+01  0.838462D+01 -0.182123D+01  0.389374D+01  0.835070D+01
      4  -0.155246D+02  0.427187D+01 -0.131468D+02 -0.317339D+01 -0.223670D+02
      5  -0.548693D+01 -0.676451D+01 -0.330601D+01  0.174510D+01  0.206655D+02
      6  -0.586582D+01  0.362484D-01 -0.523405D+01 -0.166756D+01  0.710645D+01
                11            12            13            14            15 
      1  -0.250949D+02  0.211076D+02 -0.298907D+02 -0.356539D+01  0.695425D+01
      2   0.144892D+02 -0.105183D+02  0.172013D+02  0.344285D+01 -0.415753D+01
      3   0.106057D+02 -0.105894D+02  0.126894D+02  0.122532D+00 -0.279672D+01
      4  -0.693064D+01  0.397821D+01 -0.858497D+01  0.110729D+02  0.155909D+02
      5   0.528964D+01 -0.698582D+01  0.904189D+01  0.179697D+02  0.550364D+01
      6   0.779071D+00  0.689934D+00  0.441535D+01 -0.469891D+01 -0.581887D+01
                16            17            18            19            20 
      1   0.147808D+02  0.498279D+01 -0.365582D+01  0.180848D+02  0.130229D+02
      2  -0.640303D+01 -0.317587D+01 -0.191059D+00 -0.180050D+02 -0.953435D+01
      3  -0.837778D+01 -0.180692D+01  0.384687D+01 -0.798011D-01 -0.348860D+01
      4   0.423955D+01  0.131992D+02  0.317766D+01  0.457922D+01 -0.814078D+00
      5  -0.671485D+01  0.332247D+01 -0.176594D+01 -0.115530D+02 -0.314034D+01
      6  -0.959033D-02 -0.521363D+01 -0.166298D+01 -0.721074D+01  0.124018D+01
                21            22            23            24            25 
      1  -0.127327D+02  0.510283D+01  0.337480D+01  0.187027D+01 -0.497167D+01
      2   0.115618D+02 -0.396398D+01 -0.950266D+01  0.250365D+00  0.538518D+01
      3   0.117093D+01 -0.113885D+01  0.612786D+01 -0.212064D+01 -0.413510D+00
      4  -0.870159D+00 -0.535029D+00 -0.120326D+02 -0.139544D+01 -0.911151D+00
      5   0.688515D+01 -0.157872D+01 -0.255138D+01  0.168151D+01  0.519979D+01
      6   0.152301D+01  0.421019D-01  0.453426D+01  0.300081D+01  0.251098D+00
                26            27            28            29            30 
      1  -0.289099D+00  0.105052D+02 -0.974527D+01 -0.446329D-02  0.215636D-01
      2  -0.565301D+00  0.441920D+01  0.169484D+01 -0.619546D-03 -0.259506D-01
      3   0.854400D+00 -0.149244D+02  0.805043D+01  0.508284D-02  0.438704D-02
      4   0.446120D+00 -0.155082D+01  0.140593D-02 -0.497687D+01 -0.480639D+01
      5  -0.153088D+00  0.710784D+01  0.192509D-01 -0.281496D+01 -0.147156D+01
      6   0.289493D+01  0.269797D+01 -0.254241D+01 -0.554561D-02  0.587897D-02
                31            32            33            34            35 
      1  -0.129833D-01  0.142096D+01 -0.492008D+01  0.159038D-01 -0.744499D+01
      2   0.115187D-01 -0.884756D+01  0.626081D+01 -0.211162D-01  0.808327D+01
      3   0.146463D-02  0.742660D+01 -0.134073D+01  0.521244D-02 -0.638276D+00
      4  -0.636727D+01  0.411050D-02 -0.233949D-01 -0.773330D+01 -0.142257D-01
      5  -0.246001D+01 -0.668097D-02 -0.685229D-02  0.485992D+01 -0.391970D-02
      6  -0.498751D-02  0.331907D+01 -0.113357D+01  0.830045D-02  0.360538D+01
                36            37            38            39            40 
      1  -0.458688D+00 -0.786778D+01  0.153504D+01  0.101849D+02  0.214078D+00
      2  -0.660050D+00  0.121998D+02 -0.335170D+01 -0.755885D+01  0.170709D+01
      3   0.111874D+01 -0.433203D+01  0.181666D+01 -0.262605D+01 -0.192117D+01
      4  -0.449245D-02  0.119263D+02  0.674859D+01 -0.810392D+01  0.111961D+02
      5   0.143972D-01  0.264410D+01 -0.110652D+02  0.215624D+01 -0.107221D+02
      6  -0.700115D+00 -0.381154D+01 -0.514775D+01  0.634643D+01 -0.435903D+01
                41            42            43            44            45 
      1  -0.612487D+01 -0.486827D+01  0.864980D+01 -0.510748D+01  0.619602D+01
      2   0.551780D+01 -0.484113D+01 -0.409085D+01 -0.799070D+00  0.261403D+01
      3   0.607071D+00  0.970941D+01 -0.455895D+01  0.590655D+01 -0.881006D+01
      4   0.989135D+01 -0.967395D+01 -0.235904D+01 -0.566466D+01  0.281838D+01
      5  -0.473643D+01  0.340630D+01  0.153189D+01  0.109596D+01  0.157221D+01
      6  -0.330689D+01  0.582203D+00  0.442591D+01 -0.278799D+00  0.657946D+01
                46            47            48            49            50 
      1  -0.826067D+01  0.222607D+01 -0.129580D+02  0.272562D+01 -0.170529D+01
      2   0.239831D+01 -0.328899D+01  0.171010D+02 -0.763834D+01  0.478132D+00
      3   0.586236D+01  0.106292D+01 -0.414293D+01  0.491272D+01  0.122716D+01
      4  -0.136536D+02 -0.835408D+01  0.867058D+01 -0.149685D+02 -0.118743D+02
      5  -0.324519D+01  0.128240D+02 -0.889062D+01  0.136023D+02  0.127577D+02
      6   0.224086D+01  0.146539D+02 -0.100187D+02  0.149304D+02  0.125473D+02
                51            52            53            54            55 
      1   0.550965D+01 -0.154569D+02  0.652515D+01 -0.917725D+01  0.499258D+01
      2   0.762777D+01  0.191382D+02  0.519898D+01  0.469067D+01 -0.490472D+01
      3  -0.131374D+02 -0.368132D+01 -0.117241D+02  0.448659D+01 -0.878593D-01
      4   0.200431D+02  0.122313D+02  0.235594D+02 -0.109936D+02  0.391605D+01
      5  -0.186526D+01 -0.126540D+02 -0.386362D+01  0.116362D+01  0.979358D+00
      6  -0.492216D+01 -0.121654D+02 -0.497048D+01  0.233679D+01  0.434986D+01
                56            57            58            59            60 
      1   0.423987D+01  0.996108D+01  0.168355D+01  0.173107D+02  0.354875D+01
      2  -0.689809D+01 -0.189162D+02 -0.564979D+00 -0.261788D+02 -0.144237D+02
      3   0.265822D+01  0.895512D+01 -0.111857D+01  0.886813D+01  0.108750D+02
      4  -0.879596D+01 -0.711103D-02 -0.360660D+01 -0.121008D+02 -0.201203D+02
      5  -0.296760D+01 -0.591526D+00 -0.329119D+01 -0.905828D+01 -0.433946D+01
      6  -0.176556D+02  0.393016D+01 -0.169544D+02 -0.196950D+02 -0.115317D+02
                61            62            63            64            65 
      1   0.128732D+02  0.775861D+01  0.102252D+02  0.197701D+01 -0.568645D+01
      2  -0.206706D+02 -0.178345D+02 -0.140226D+02 -0.106263D+01  0.585815D+01
      3   0.779744D+01  0.100759D+02  0.379740D+01 -0.914378D+00 -0.171702D+00
      4   0.159675D+01 -0.233523D+02  0.169427D+01  0.758086D+01  0.200185D+01
      5   0.221382D-01 -0.376663D+01 -0.133944D+01  0.285521D+01 -0.275899D+01
      6   0.449905D+01 -0.159848D+02 -0.103087D+01 -0.645330D+01  0.807311D+01
                66            67            68            69            70 
      1  -0.993397D+00 -0.529917D+01 -0.109451D+02 -0.458447D+01 -0.213867D+01
      2   0.105754D+02  0.209086D+01  0.137031D+02  0.723731D+01  0.955787D+01
      3  -0.958204D+01  0.320831D+01 -0.275797D+01 -0.265284D+01 -0.741921D+01
      4  -0.239305D+01 -0.248525D+01  0.165477D+02  0.117708D+02 -0.277592D+01
      5  -0.353798D+01 -0.174753D+01  0.157253D+01  0.258769D+01 -0.235548D+01
      6  -0.124930D+00  0.870224D+01  0.116383D+02  0.554063D+01 -0.156624D+01
                71            72            73            74            75 
      1  -0.197864D+01  0.950965D+00  0.181551D+02 -0.129708D+02  0.126968D+02
      2   0.876494D+00  0.653273D+01 -0.180447D+02  0.951456D+01 -0.115659D+02
      3   0.110214D+01 -0.748370D+01 -0.110414D+00  0.345623D+01 -0.113091D+01
      4   0.559177D+01 -0.874498D+00 -0.441793D+01 -0.977565D+00 -0.791056D+00
      5   0.182736D+01 -0.531726D+01  0.115902D+02 -0.312589D+01  0.692735D+01
      6   0.328937D+01 -0.461573D+01 -0.715421D+01 -0.129645D+01 -0.152717D+01
                76            77            78            79            80 
      1  -0.503396D+01  0.317921D+01  0.188984D+01  0.496818D+01 -0.304003D+00
      2   0.391883D+01 -0.935469D+01  0.165376D+00 -0.539594D+01 -0.624212D+00
      3   0.111513D+01  0.617548D+01 -0.205522D+01  0.427763D+00  0.928215D+00
      4  -0.653404D+00  0.120735D+02  0.141390D+01 -0.879027D+00 -0.432369D+00
      5  -0.154290D+01  0.253112D+01 -0.163009D+01  0.522041D+01  0.188137D+00
      6  -0.995422D-01  0.450679D+01  0.298829D+01 -0.252345D+00  0.288083D+01
                81            82            83            84            85 
      1   0.105567D+02 -0.773308D+01 -0.152908D+01 -0.101525D+02 -0.240758D+00
      2   0.439345D+01  0.121005D+02  0.341463D+01  0.757645D+01 -0.159735D+01
      3  -0.149501D+02 -0.436742D+01 -0.188555D+01  0.257602D+01  0.183810D+01
      4   0.159348D+01 -0.120561D+02  0.675861D+01 -0.821939D+01  0.112029D+02
      5  -0.709371D+01 -0.257663D+01 -0.111272D+02  0.213350D+01 -0.107714D+02
      6   0.272766D+01 -0.384735D+01  0.515417D+01 -0.636942D+01  0.434735D+01
                86            87            88            89            90 
      1  -0.604851D+01 -0.499865D+01 -0.865375D+01 -0.521622D+01  0.616385D+01
      2   0.548181D+01 -0.473154D+01  0.411461D+01 -0.710555D+00  0.256080D+01
      3   0.566704D+00  0.973018D+01  0.453914D+01  0.592678D+01 -0.872464D+01
      4  -0.990669D+01  0.965785D+01 -0.242994D+01  0.564609D+01 -0.280582D+01
      5   0.465780D+01 -0.343192D+01  0.149412D+01 -0.111459D+01 -0.157873D+01
      6  -0.326600D+01  0.512169D+00 -0.444729D+01 -0.321736D+00  0.656218D+01
                91            92            93            94            95 
      1  -0.836475D+01 -0.226412D+01  0.128714D+02 -0.268458D+01 -0.183639D+01
      2   0.246528D+01  0.332584D+01 -0.170978D+02  0.758629D+01  0.570152D+00
      3   0.589947D+01 -0.106172D+01  0.422644D+01 -0.490171D+01  0.126624D+01
      4   0.136814D+02 -0.839974D+01  0.889687D+01 -0.150265D+02  0.118754D+02
      5   0.313018D+01  0.129648D+02 -0.888559D+01  0.137355D+02 -0.126936D+02
      6   0.237930D+01 -0.146762D+02  0.995375D+01 -0.149378D+02  0.123978D+02
                96            97            98            99           100 
      1   0.573918D+01  0.153477D+02  0.679527D+01 -0.921627D+01  0.505809D+01
      2   0.740463D+01 -0.190864D+02  0.492633D+01  0.477404D+01 -0.499006D+01
      3  -0.131438D+02  0.373868D+01 -0.117216D+02  0.444223D+01 -0.680289D-01
      4  -0.200318D+02  0.124758D+02 -0.235104D+02  0.108675D+02 -0.380764D+01
      5   0.183373D+01 -0.126530D+02  0.379601D+01 -0.118697D+01 -0.968812D+00
      6  -0.484040D+01  0.120739D+02 -0.487261D+01  0.234400D+01  0.417545D+01
               101           102           103           104           105 
      1  -0.416222D+01 -0.999119D+01 -0.163919D+01  0.171181D+02  0.331535D+01
      2   0.679654D+01  0.190110D+02  0.498737D+00 -0.258717D+02 -0.140981D+02
      3  -0.263432D+01 -0.901986D+01  0.114045D+01  0.875358D+01  0.107827D+02
      4  -0.894466D+01 -0.238707D+00 -0.368389D+01  0.120879D+02  0.202021D+02
      5  -0.309191D+01 -0.622640D+00 -0.340584D+01  0.910454D+01  0.441332D+01
      6   0.177889D+02 -0.379222D+01  0.170585D+02 -0.194636D+02 -0.115965D+02
               106           107           108           109           110 
      1  -0.129325D+02  0.750452D+01  0.102485D+02  0.197268D+01  0.570846D+01
      2   0.207859D+02 -0.175055D+02 -0.140949D+02 -0.109239D+01 -0.586067D+01
      3  -0.785339D+01  0.100010D+02  0.384637D+01 -0.880284D+00  0.152218D+00
      4   0.133225D+01  0.234963D+02 -0.149749D+01 -0.755974D+01  0.208162D+01
      5   0.297435D-02  0.388021D+01  0.136837D+01 -0.283232D+01 -0.272543D+01
      6  -0.433147D+01 -0.160800D+02 -0.111080D+01 -0.637669D+01 -0.815681D+01
               111           112           113           114           115 
      1   0.102164D+01  0.535300D+01 -0.107347D+02 -0.448980D+01  0.216992D+01
      2  -0.106058D+02 -0.213739D+01  0.134667D+02  0.706665D+01 -0.957918D+01
      3   0.958420D+01 -0.321561D+01 -0.273206D+01 -0.257685D+01  0.740926D+01
      4  -0.228082D+01 -0.242722D+01 -0.166160D+02 -0.118123D+02 -0.269309D+01
      5  -0.350515D+01 -0.171879D+01 -0.161922D+01 -0.262450D+01 -0.233451D+01
      6   0.612612D-01 -0.876942D+01  0.115683D+02  0.556148D+01  0.151548D+01
               116           117           118           119           120 
      1  -0.193898D+01  0.944209D+00  0.317021D+02 -0.234766D+01  0.996831D+01
      2   0.784046D+00  0.658143D+01 -0.179686D+02  0.531360D+01 -0.717750D+01
      3   0.115494D+01 -0.752564D+01 -0.137335D+02 -0.296595D+01 -0.279081D+01
      4  -0.563287D+01  0.817849D+00  0.163569D+02  0.782850D+01  0.301413D+01
      5  -0.185616D+01  0.532008D+01  0.102022D+02 -0.177122D+01  0.961152D+01
      6   0.332541D+01 -0.456439D+01  0.488841D+01 -0.631217D+00  0.547643D+01
               121           122           123           124           125 
      1  -0.854030D+01  0.619057D+01 -0.396472D+01  0.173710D+02 -0.301521D+01
      2   0.745341D+01 -0.573686D+01  0.255658D+01 -0.127092D+02  0.480436D+01
      3   0.108688D+01 -0.453712D+00  0.140814D+01 -0.466180D+01 -0.178915D+01
      4   0.345997D+01 -0.554731D+00  0.197102D+00  0.784816D+01  0.274932D+01
      5  -0.321133D+01  0.241491D+01 -0.229181D+01  0.132243D+02  0.163574D+00
      6  -0.157760D+01  0.511039D+00  0.289908D+00  0.757386D+01  0.208545D+01
               126           127           128           129           130 
      1   0.894318D+01  0.146082D+02  0.654483D+01 -0.367376D+01  0.267245D+01
      2  -0.772310D+01 -0.278840D+00  0.483132D+01 -0.822318D+00  0.104175D+02
      3  -0.122008D+01 -0.143294D+02 -0.113761D+02  0.449607D+01 -0.130900D+02
      4   0.552141D+01  0.286584D+02  0.232760D+02 -0.123300D+02  0.258193D+02
      5   0.124056D+02 -0.111065D+02 -0.915897D+01  0.101288D+02 -0.885592D+01
      6   0.783272D+01 -0.107926D+02 -0.933339D+01  0.840715D+01 -0.117246D+02
               131           132           133           134           135 
      1  -0.632699D+01  0.142467D+01 -0.268409D+01  0.170178D+01 -0.463655D-01
      2   0.236983D+02 -0.715611D+01 -0.316211D+01 -0.841590D+01  0.204695D+01
      3  -0.173714D+02  0.573143D+01  0.584620D+01  0.671412D+01 -0.200059D+01
      4   0.322452D+02 -0.143051D+02 -0.194452D+02 -0.199066D+02  0.166434D+02
      5  -0.111004D+02  0.802530D+01  0.147301D+02  0.118871D+02 -0.145491D+02
      6  -0.167629D+02  0.126127D+02  0.142958D+02  0.165088D+02 -0.171919D+02
               136           137           138           139           140 
      1  -0.526045D+01  0.882420D+01 -0.361996D+01  0.477188D+01 -0.160094D+02
      2   0.798506D+01 -0.158992D+02  0.602696D+01 -0.787330D+01  0.265812D+02
      3  -0.272461D+01  0.707496D+01 -0.240700D+01  0.310142D+01 -0.105718D+02
      4  -0.147668D+02  0.821983D+01 -0.582502D+01  0.655485D+01 -0.455173D+01
      5   0.155592D+01 -0.325297D+00  0.143458D+01 -0.395648D+00  0.898155D+00
      6  -0.721656D+01  0.652234D+01 -0.759439D+01  0.441837D+01 -0.682061D+01
               141           142           143           144           145 
      1   0.439740D+01 -0.646300D+01  0.101155D+02 -0.853181D+01 -0.178443D+01
      2  -0.586807D+01  0.700601D+01 -0.144445D+02  0.913734D+01  0.810211D+01
      3   0.147067D+01 -0.543013D+00  0.432900D+01 -0.605526D+00 -0.631768D+01
      4   0.375141D+01 -0.885900D+01  0.577625D+01 -0.487455D+01  0.118988D+02
      5   0.427342D+00  0.187356D+01  0.493544D+00 -0.269061D+00  0.331960D+01
      6   0.840387D+01 -0.686367D+01  0.138909D+02 -0.152581D+02  0.542476D+01
               146           147           148           149           150 
      1  -0.262987D+01 -0.179063D+01 -0.361204D+01 -0.326293D+02 -0.112163D+02
      2   0.113975D+02  0.450862D+01  0.106362D+02  0.603752D+02  0.182758D+02
      3  -0.876765D+01 -0.271799D+01 -0.702417D+01 -0.277459D+02 -0.705952D+01
      4   0.189464D+02  0.642769D+01  0.135110D+02  0.255997D+02  0.924131D+01
      5   0.520798D+01  0.452474D+01  0.310817D+01  0.873285D+01  0.503229D+01
      6   0.786708D+01  0.460403D+01  0.695795D+01  0.261086D+02  0.170222D+02
               151           152           153           154           155 
      1  -0.289846D+01 -0.172570D+02 -0.122221D+02 -0.534122D+01 -0.887593D+01
      2   0.583120D+01  0.263933D+02  0.148681D+02  0.805585D+01  0.159560D+02
      3  -0.293274D+01 -0.913633D+01 -0.264595D+01 -0.271462D+01 -0.708005D+01
      4   0.703769D+01  0.151920D+02  0.862006D+01  0.146524D+02  0.820264D+01
      5   0.440044D+01  0.790196D+01  0.689258D+01 -0.150946D+01 -0.300154D+00
      6   0.566927D+01  0.253848D+02  0.195448D+02 -0.715459D+01 -0.652052D+01
               156           157           158           159           160 
      1   0.364259D+01 -0.480602D+01 -0.161713D+02  0.444523D+01  0.649091D+01
      2  -0.605719D+01  0.789437D+01  0.268497D+02 -0.594431D+01 -0.703435D+01
      3   0.241460D+01 -0.308835D+01 -0.106783D+02  0.149908D+01  0.543436D+00
      4  -0.575365D+01  0.657664D+01  0.447423D+01 -0.373541D+01 -0.876429D+01
      5   0.140077D+01 -0.377143D+00 -0.869088D+00 -0.462403D+00  0.184081D+01
      6   0.754171D+01 -0.442209D+01 -0.687801D+01  0.845223D+01  0.678793D+01
               161           162           163           164           165 
      1   0.102044D+02 -0.855805D+01 -0.171106D+01  0.261018D+01  0.179463D+01
      2  -0.145730D+02  0.920171D+01  0.808131D+01 -0.114503D+02 -0.454909D+01
      3   0.436861D+01 -0.643658D+00 -0.637025D+01  0.884008D+01  0.275446D+01
      4  -0.571910D+01  0.478177D+01 -0.120884D+02  0.190604D+02  0.652481D+01
      5  -0.546938D+00  0.330022D+00 -0.339938D+01  0.528761D+01  0.459109D+01
      6   0.139239D+02 -0.152067D+02  0.550403D+01 -0.797255D+01 -0.469791D+01
               166           167           168           169           170 
      1   0.361923D+01 -0.322888D+02 -0.111430D+02  0.291872D+01 -0.171448D+02
      2  -0.107037D+02  0.598317D+02  0.181757D+02 -0.588940D+01  0.262483D+02
      3   0.708448D+01 -0.275429D+02 -0.703270D+01  0.297067D+01 -0.910350D+01
      4   0.136058D+02 -0.257695D+02 -0.935245D+01  0.716564D+01 -0.153755D+02
      5   0.317103D+01 -0.881885D+01 -0.509776D+01  0.447890D+01 -0.801745D+01
      6  -0.705228D+01  0.260445D+02  0.170227D+02 -0.579398D+01  0.253947D+02
               171           172           173           174           175 
      1  -0.121861D+02  0.317941D+02  0.242880D+01 -0.996093D+01  0.865188D+01
      2   0.148042D+02 -0.180621D+02 -0.533156D+01  0.718793D+01 -0.749888D+01
      3  -0.261815D+01 -0.137321D+02  0.290276D+01  0.277300D+01 -0.115300D+01
      4  -0.877013D+01 -0.161760D+02  0.778721D+01  0.292587D+01  0.344450D+01
      5  -0.701414D+01 -0.101803D+02 -0.182117D+01  0.960627D+01 -0.325454D+01
      6   0.196239D+02  0.482549D+01  0.648682D+00 -0.542553D+01  0.159256D+01
               176           177           178           179           180 
      1   0.625517D+01 -0.400547D+01 -0.173923D+02 -0.307913D+01  0.896865D+01
      2  -0.581162D+01  0.257934D+01  0.127442D+02  0.483841D+01 -0.775643D+01
      3  -0.443553D+00  0.142613D+01  0.464807D+01 -0.175928D+01 -0.121222D+01
      4   0.671493D+00 -0.203312D+00  0.769680D+01 -0.273244D+01 -0.542480D+01
      5  -0.243937D+01  0.233853D+01  0.132244D+02 -0.962988D-01 -0.123962D+02
      6   0.498686D+00  0.264726D+00 -0.750557D+01  0.204415D+01  0.775453D+01
               181           182           183           184           185 
      1   0.148594D+02 -0.663556D+01  0.375351D+01 -0.278217D+01 -0.612754D+01
      2  -0.416072D+00 -0.477624D+01  0.769679D+00 -0.103449D+02  0.234552D+02
      3  -0.144434D+02  0.114118D+02 -0.452319D+01  0.131270D+02 -0.173276D+02
      4  -0.288073D+02  0.233181D+02 -0.123745D+02  0.258937D+02 -0.322273D+02
      5   0.112004D+02 -0.919484D+01  0.101741D+02 -0.889942D+01  0.110896D+02
      6  -0.108259D+02  0.932566D+01 -0.840655D+01  0.117132D+02 -0.166403D+02
               186           187           188           189           190 
      1   0.132599D+01  0.281166D+01  0.155636D+01  0.718504D-01  0.200941D+02
      2  -0.704737D+01  0.306174D+01 -0.825537D+01  0.193910D+01 -0.163790D+02
      3   0.572138D+01 -0.587340D+01  0.669902D+01 -0.201095D+01 -0.371503D+01
      4   0.142883D+02 -0.195052D+02  0.198632D+02 -0.166318D+02  0.825315D+00
      5  -0.802837D+01  0.148004D+02 -0.118812D+02  0.145823D+02  0.155032D+02
      6   0.125449D+02 -0.142816D+02  0.164020D+02 -0.171087D+02  0.575826D+00
               191           192           193           194           195 
      1   0.488262D+01  0.758121D+01  0.791279D+01  0.513130D+01  0.367756D+01
      2  -0.664617D+01 -0.939424D+01 -0.871416D+01 -0.574873D+01 -0.628349D+01
      3   0.176355D+01  0.181303D+01  0.801376D+00  0.617424D+00  0.260593D+01
      4   0.661716D+01  0.134736D+01  0.110554D+01  0.740265D+01  0.541413D+00
      5   0.396451D+01  0.107750D+02  0.107144D+02  0.256640D+01  0.765167D+01
      6   0.145125D+01 -0.723991D+00  0.104563D+01  0.249678D+01  0.519790D+00
               196           197           198           199           200 
      1   0.331915D+01  0.124622D+01  0.178307D+01 -0.214608D+01 -0.243407D+01
      2  -0.658253D+01 -0.202158D+01 -0.778526D+01 -0.173068D+01  0.150871D+01
      3   0.326338D+01  0.775354D+00  0.600219D+01  0.387677D+01  0.925359D+00
      4   0.270430D+01  0.413152D+00  0.201476D+01  0.605374D+01 -0.280969D+01
      5   0.776876D+01  0.346698D+01  0.862129D+01 -0.239874D+01  0.200342D+01
      6   0.362361D+00  0.155050D+01 -0.797400D+00  0.234269D-01 -0.316462D+01
               201           202           203           204           205 
      1   0.697583D+01 -0.458596D+00 -0.498925D+01  0.612183D+01  0.254077D+01
      2   0.124745D+01 -0.418162D+00  0.212046D+01 -0.834499D+00 -0.162901D+01
      3  -0.822328D+01  0.876758D+00  0.286879D+01 -0.528733D+01 -0.911762D+00
      4   0.286921D+00  0.166736D+01 -0.182019D+01  0.557965D+00 -0.337599D+01
      5  -0.272096D+00  0.102024D+00  0.111309D+01 -0.193847D+01  0.471434D+01
      6   0.579385D+01 -0.264122D+00 -0.586782D+01  0.875540D+01 -0.648533D+00
               206           207           208           209           210 
      1   0.549723D+01 -0.176559D+02 -0.456713D-01 -0.790712D+01 -0.459683D+01
      2  -0.387320D+00 -0.112000D+02 -0.348127D+00  0.100151D+02  0.186954D+01
      3  -0.510991D+01  0.288559D+02  0.393798D+00 -0.210802D+01  0.272730D+01
      4   0.333012D+01  0.429001D+00  0.168589D+02  0.755764D+01  0.799204D+01
      5  -0.228714D+01  0.111847D+02  0.871255D+01  0.557352D+01  0.558375D+01
      6   0.741087D+01 -0.169925D+02  0.898480D+01  0.110914D+02  0.101505D+02
               211           212           213           214           215 
      1  -0.212177D+01 -0.333798D+01 -0.194200D+01 -0.157386D+01 -0.148913D+01
      2   0.286305D+01  0.708780D+01  0.156661D+01 -0.648495D+00 -0.113397D+01
      3  -0.741279D+00 -0.374982D+01  0.375383D+00  0.222236D+01  0.262311D+01
      4   0.778381D+01  0.733204D+01  0.472356D+01  0.420862D+01  0.387037D+01
      5   0.284753D+01  0.300605D+01  0.219735D+01  0.454872D+01  0.213286D+01
      6   0.523908D+01  0.520515D+01  0.545078D+01  0.521597D+01  0.490836D+01
               216           217           218           219           220 
      1  -0.399185D+01 -0.394370D+00  0.337468D+01  0.246544D+01  0.240914D+00
      2  -0.197066D+01 -0.348936D+01 -0.417875D+01  0.606016D+01 -0.116868D+01
      3   0.596251D+01  0.388373D+01  0.804072D+00 -0.852560D+01  0.927761D+00
      4   0.520627D+01 -0.350473D+01  0.453545D+01  0.431429D+01  0.502166D+00
      5   0.344729D+01 -0.473925D+01  0.185255D+01  0.831722D+01  0.259858D+00
      6   0.824279D+01  0.420400D+01 -0.325829D+01 -0.707464D+01 -0.128228D+00
               221           222           223           224           225 
      1   0.263098D+01  0.159421D+01  0.161061D+01 -0.510304D+01 -0.117191D+02
      2  -0.551154D+01  0.236433D+01  0.336544D+01  0.325789D+01 -0.156731D+02
      3   0.288055D+01 -0.395854D+01 -0.497606D+01  0.184516D+01  0.273922D+02
      4   0.217619D+01  0.630946D+00  0.379560D+01 -0.212345D+01 -0.274043D+01
      5  -0.129552D+01  0.927495D+00  0.562006D+01 -0.121396D+01 -0.950585D+01
      6  -0.181929D+01  0.689012D+00 -0.303842D+01  0.672842D+01  0.183859D+02
               226           227           228           229           230 
      1  -0.745681D+00 -0.487997D+00 -0.119994D+01 -0.616783D+01 -0.112943D+02
      2   0.410066D+01 -0.220030D+01  0.161458D+01  0.179139D+01  0.204176D+02
      3  -0.335498D+01  0.268830D+01 -0.414641D+00  0.437644D+01 -0.912336D+01
      4  -0.310569D+01  0.533220D+01  0.147831D+00  0.877337D+01 -0.207303D+02
      5  -0.133986D+01 -0.359530D+00  0.153809D+00 -0.503354D+01  0.282046D+01
      6   0.251213D+00  0.501414D+00 -0.198176D+00  0.389035D+01 -0.119436D+02
               231           232           233           234           235 
      1   0.168580D+01 -0.530310D+01  0.193166D+01 -0.406818D+01 -0.236750D+01
      2  -0.121663D+00  0.351925D+01  0.104494D+01  0.209044D+01 -0.149979D+00
      3  -0.156414D+01  0.178385D+01 -0.297660D+01  0.197774D+01  0.251748D+01
      4   0.446271D+01  0.177341D+01 -0.227956D+01 -0.182674D+01  0.792669D+00
      5  -0.489468D+01 -0.110843D+01 -0.169359D+01  0.968591D-01  0.282117D+00
      6   0.567697D+01  0.648276D-01  0.266883D+01 -0.190312D+01  0.123237D+01
               236           237           238           239           240 
      1   0.789690D+00  0.350249D+01  0.357589D+01 -0.345533D+01  0.999955D+00
      2  -0.160643D+01  0.947033D+00 -0.377057D+01  0.906043D+00 -0.318311D+01
      3   0.816738D+00 -0.444952D+01  0.194685D+00  0.254929D+01  0.218315D+01
      4  -0.405911D+00  0.147183D+00  0.880940D+00 -0.975668D+00  0.227820D+01
      5   0.107603D+01  0.192381D+01  0.176320D+01  0.146602D+01  0.172725D+01
      6  -0.797032D+00  0.177643D+01  0.125121D+00 -0.187398D+01  0.449487D+01
               241           242           243           244           245 
      1   0.424969D+01  0.383565D+01 -0.197353D+02  0.166315D-01  0.786841D+01
      2  -0.623458D+01  0.780179D+00 -0.157595D+02 -0.409270D+00 -0.999402D+01
      3   0.198489D+01 -0.461582D+01  0.354948D+02  0.392639D+00  0.212561D+01
      4  -0.162782D+01  0.364483D+01 -0.261859D+01 -0.169192D+02  0.759328D+01
      5   0.719449D+01 -0.395068D+01  0.211660D+02 -0.877072D+01  0.559717D+01
      6  -0.155442D+01  0.554380D+01 -0.986612D+01  0.902962D+01 -0.110666D+02
               246           247           248           249           250 
      1   0.455734D+01  0.208253D+01 -0.325798D+01 -0.189870D+01  0.156128D+01
      2  -0.182487D+01 -0.283906D+01  0.699168D+01  0.152782D+01  0.674775D+00
      3  -0.273247D+01  0.756535D+00 -0.373369D+01  0.370881D+00 -0.223606D+01
      4   0.804582D+01  0.776370D+01 -0.732145D+01 -0.471290D+01  0.423629D+01
      5   0.563698D+01  0.284569D+01 -0.299567D+01 -0.219420D+01  0.457969D+01
      6  -0.101639D+02 -0.521966D+01  0.514025D+01  0.541869D+01 -0.522590D+01
               251           252           253           254           255 
      1  -0.146651D+01 -0.396815D+01 -0.405780D+00 -0.342542D+01 -0.250664D+01
      2  -0.115741D+01 -0.200090D+01 -0.348772D+01  0.422102D+01 -0.604587D+01
      3   0.262392D+01  0.596905D+01  0.389350D+01 -0.795607D+00  0.855251D+01
      4  -0.386107D+01 -0.521815D+01  0.351483D+01  0.454096D+01  0.434700D+01
      5  -0.213583D+01 -0.348062D+01  0.473556D+01  0.186348D+01  0.831656D+01
      6   0.490111D+01  0.825425D+01  0.422621D+01  0.329740D+01  0.713553D+01
               256           257           258           259           260 
      1  -0.259254D+00  0.263177D+01  0.157555D+01 -0.162214D+01 -0.513634D+01
      2   0.118373D+01 -0.549881D+01  0.232609D+01 -0.336303D+01  0.325308D+01
      3  -0.924481D+00  0.286704D+01 -0.390164D+01  0.498517D+01  0.188326D+01
      4   0.525776D+00 -0.211589D+01 -0.612834D+00  0.380858D+01  0.211601D+01
      5   0.273287D+00  0.131215D+01 -0.895342D+00  0.561484D+01  0.122180D+01
      6   0.155845D+00 -0.178012D+01  0.727632D+00  0.305398D+01  0.676781D+01
               261           262           263           264           265 
      1  -0.117374D+02  0.202218D+02 -0.490671D+01 -0.759362D+01 -0.791087D+01
      2  -0.156226D+02 -0.164514D+02  0.666355D+01  0.938562D+01  0.868798D+01
      3   0.273600D+02 -0.377036D+01 -0.175684D+01 -0.179200D+01 -0.777113D+00
      4   0.278145D+01 -0.755378D+00  0.662405D+01  0.129209D+01  0.108791D+01
      5   0.946526D+01 -0.155207D+02  0.392154D+01  0.107472D+02  0.106600D+02
      6   0.184590D+02  0.544737D+00 -0.144943D+01  0.751526D+00 -0.102406D+01
               266           267           268           269           270 
      1   0.515195D+01  0.365696D+01 -0.331702D+01  0.123492D+01  0.179609D+01
      2  -0.573039D+01 -0.622677D+01  0.655728D+01 -0.198260D+01 -0.774202D+01
      3   0.578435D+00  0.256981D+01 -0.324027D+01  0.747689D+00  0.594593D+01
      4  -0.736166D+01 -0.492753D+00  0.268714D+01 -0.373893D+00 -0.198520D+01
      5  -0.250765D+01 -0.758446D+01  0.772887D+01 -0.343948D+01 -0.854603D+01
      6   0.247756D+01  0.487206D+00 -0.348468D+00  0.152691D+01 -0.810393D+00
               271           272           273           274           275 
      1  -0.210052D+01  0.243002D+01 -0.696943D+01  0.440366D+00 -0.495711D+01
      2  -0.177754D+01 -0.153242D+01 -0.124918D+01  0.417159D+00  0.209874D+01
      3   0.387806D+01 -0.897593D+00  0.821860D+01 -0.857525D+00  0.285837D+01
      4  -0.603831D+01 -0.281926D+01  0.275177D+00  0.163332D+01  0.178979D+01
      5   0.237854D+01  0.200838D+01 -0.257772D+00  0.119402D+00 -0.109101D+01
      6   0.347214D-01  0.316175D+01 -0.578279D+01  0.270569D+00 -0.581915D+01
               276           277           278           279           280 
      1   0.606171D+01 -0.252190D+01  0.547453D+01 -0.176515D+02  0.643458D+01
      2  -0.836675D+00  0.162489D+01 -0.402708D+00 -0.112774D+02 -0.330079D+01
      3  -0.522503D+01  0.897008D+00 -0.507182D+01  0.289289D+02 -0.313378D+01
      4  -0.545323D+00 -0.338846D+01 -0.334610D+01 -0.442185D+00  0.440021D+01
      5   0.190550D+01  0.472830D+01  0.228606D+01 -0.112090D+02  0.785597D+01
      6   0.869979D+01  0.667801D+00  0.739015D+01 -0.169979D+02  0.202460D+01
               281           282           283           284           285 
      1   0.340252D+01  0.661562D+01  0.851392D+01 -0.778611D+00 -0.190016D+01
      2  -0.121630D+01 -0.364169D+01 -0.447696D+01  0.384315D+01 -0.560906D+00
      3  -0.218623D+01 -0.297392D+01 -0.403696D+01 -0.306454D+01  0.246106D+01
      4   0.516117D+01  0.178054D+01  0.116782D+02  0.241350D+02  0.121880D+02
      5   0.233950D+01  0.491461D+01  0.674046D+01  0.128637D+02  0.148399D+02
      6   0.746570D+00  0.658252D+00  0.421735D+01  0.116933D+02  0.827048D+01
               286           287           288           289           290 
      1   0.829421D+01 -0.198982D+01 -0.838377D+00  0.656183D+02 -0.162832D+02
      2  -0.628524D+01 -0.842112D+00 -0.394184D+01 -0.361956D+02  0.795411D+01
      3  -0.200897D+01  0.283193D+01  0.478022D+01 -0.294227D+02  0.832908D+01
      4   0.350260D+01  0.872518D+01  0.859378D+01 -0.210942D+02  0.133758D+02
      5   0.872570D+01  0.894767D+01  0.135515D+02  0.272409D+02 -0.719463D+01
      6   0.218114D+01  0.732300D+01  0.676214D+01 -0.459537D+01  0.308435D+01
               291           292           293           294           295 
      1   0.169505D+02 -0.261088D+02  0.125599D+02 -0.696586D+01  0.149243D+02
      2  -0.110051D+02  0.130608D+02 -0.515231D+01  0.469779D+01 -0.116337D+02
      3  -0.594537D+01  0.130480D+02 -0.740754D+01  0.226806D+01 -0.329060D+01
      4  -0.619392D+01  0.201064D+02 -0.133672D+02  0.880549D+01 -0.572599D+01
      5   0.172073D+02 -0.122033D+02  0.965316D+01 -0.771969D+01  0.208137D+02
      6  -0.199718D+01  0.540577D+01 -0.342147D+01  0.428369D+01 -0.310854D+01
               296           297           298           299           300 
      1  -0.370636D+01  0.114489D+02  0.653669D+02  0.164214D+02 -0.168292D+02
      2   0.335106D+01 -0.947715D+01 -0.359491D+02 -0.797836D+01  0.108917D+02
      3   0.355300D+00 -0.197178D+01 -0.294178D+02 -0.844301D+01  0.593747D+01
      4   0.587953D+01 -0.550861D+01  0.214017D+02  0.135305D+02 -0.624721D+01
      5  -0.596178D+01  0.131480D+02 -0.270469D+02 -0.722460D+01  0.171017D+02
      6   0.372304D+01 -0.270443D+01 -0.464852D+01 -0.310826D+01  0.203522D+01
               301           302           303           304           305 
      1   0.262435D+02  0.126646D+02 -0.695277D+01 -0.148057D+02 -0.370010D+01
      2  -0.130529D+02 -0.513583D+01  0.466047D+01  0.115153D+02  0.333451D+01
      3  -0.131906D+02 -0.752882D+01  0.229230D+01  0.329034D+01  0.365588D+00
      4   0.203360D+02  0.135990D+02 -0.885742D+01 -0.578186D+01 -0.591331D+01
      5  -0.122179D+02 -0.969321D+01  0.775056D+01  0.207083D+02  0.601200D+01
      6  -0.544399D+01 -0.348123D+01  0.430486D+01  0.316448D+01  0.374775D+01
               306           307           308           309           310 
      1   0.113815D+02  0.659310D+01 -0.343068D+01 -0.662980D+01 -0.861145D+01
      2  -0.938967D+01 -0.339107D+01  0.123747D+01  0.366356D+01  0.454696D+01
      3  -0.199181D+01 -0.320202D+01  0.219321D+01  0.296623D+01  0.406448D+01
      4   0.557931D+01 -0.446028D+01  0.526107D+01  0.180973D+01  0.117719D+02
      5  -0.130463D+02 -0.792227D+01  0.238379D+01  0.498877D+01  0.681186D+01
      6  -0.274160D+01  0.201869D+01 -0.789445D+00 -0.684277D+00 -0.424821D+01
               311           312           313           314           315 
      1  -0.564510D+00 -0.177958D+01 -0.832386D+01 -0.191831D+01 -0.743295D+00
      2   0.365827D+01 -0.652312D+00  0.631744D+01 -0.896786D+00 -0.400399D+01
      3  -0.309376D+01  0.243189D+01  0.200642D+01  0.281510D+01  0.474728D+01
      4  -0.241292D+02 -0.121936D+02  0.350439D+01 -0.872680D+01 -0.859350D+01
      5  -0.128842D+02 -0.148645D+02  0.878342D+01 -0.895479D+01 -0.135787D+02
      6   0.116038D+02  0.819506D+01 -0.219387D+01  0.727310D+01  0.670061D+01
               316           317           318           319           320 
      1  -0.232809D+01 -0.793311D+00 -0.348840D+01 -0.359333D+01 -0.346789D+01
      2  -0.183711D+00  0.159814D+01 -0.925974D+00  0.379196D+01  0.923976D+00
      3   0.251180D+01 -0.804831D+00  0.441437D+01 -0.198632D+00  0.254391D+01
      4  -0.802389D+00 -0.420231D+00  0.146906D+00  0.846457D+00  0.945953D+00
      5  -0.308168D+00  0.107572D+01  0.195361D+01  0.178483D+01 -0.144989D+01
      6   0.123756D+01  0.801043D+00 -0.176948D+01 -0.108966D+00 -0.185081D+01
               321           322           323           324           325 
      1   0.967185D+00 -0.423915D+01  0.380371D+01 -0.197249D+02 -0.810094D+00
      2  -0.322156D+01  0.623744D+01  0.766535D+00 -0.157816D+02  0.412941D+01
      3   0.225438D+01 -0.199829D+01 -0.457024D+01  0.355064D+02 -0.331932D+01
      4  -0.226535D+01 -0.164886D+01 -0.364041D+01  0.258527D+01  0.302700D+01
      5  -0.178009D+01  0.720182D+01  0.393528D+01 -0.211923D+02  0.135663D+01
      6   0.446757D+01  0.156282D+01  0.553917D+01 -0.987382D+01  0.267674D+00
               326           327           328           329           330 
      1   0.494822D+00  0.119085D+01  0.615569D+01 -0.114407D+02  0.174472D+01
      2   0.216101D+01 -0.161370D+01 -0.180122D+01  0.205503D+02 -0.185656D+00
      3  -0.265584D+01  0.422849D+00 -0.435447D+01 -0.910966D+01 -0.155906D+01
      4   0.524334D+01  0.170018D+00  0.873663D+01  0.206801D+02 -0.448877D+01
      5  -0.347363D+00  0.141143D+00 -0.501980D+01 -0.283604D+01  0.488739D+01
      6  -0.454742D+00  0.175196D+00 -0.387540D+01 -0.120226D+02  0.572463D+01
               331           332           333 
      1   0.527684D+01  0.195323D+01 -0.408626D+01
      2  -0.350784D+01  0.102047D+01  0.209380D+01
      3  -0.176900D+01 -0.297370D+01  0.199247D+01
      4   0.178733D+01  0.225298D+01  0.180913D+01
      5  -0.109836D+01  0.168335D+01 -0.115137D+00
      6  -0.757072D-01  0.269419D+01 -0.192204D+01
 Leave Link  716 at Mon Jul 19 02:10:40 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.159952D+03 -0.839941D-03 -0.166059D-02
      2  -0.839941D-03  0.158372D+03  0.814159D-01
      3  -0.166059D-02  0.814159D-01  0.125256D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.135228D+01 -0.376358D-01  0.424544D-02
      2  -0.182128D-01  0.297270D+01 -0.235092D+01
      3  -0.121017D-01 -0.215544D+01 -0.344681D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.913475D+02 -0.536949D+00  0.196213D-01
      2   0.982250D+02  0.571815D+00  0.126816D-01
      3  -0.687747D+01 -0.348659D-01 -0.323029D-01
      4  -0.555342D+00  0.101254D+03 -0.544760D+01
      5  -0.664872D-01  0.131260D+01 -0.102157D+02
      6  -0.101732D+02 -0.774709D-01 -0.589698D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.456061D+01 -0.394890D+01  0.331757D+01 -0.549770D+01  0.123461D+01
      2  -0.394890D+01  0.801688D+00 -0.518391D+00  0.123461D+01  0.277271D+01
      3   0.331757D+01 -0.518391D+00  0.770062D+00 -0.114082D+01  0.280547D+01
                 6             7             8             9            10 
      1  -0.114082D+01  0.231635D+01 -0.727302D+00  0.904078D+00  0.450862D+01
      2   0.280547D+01 -0.727302D+00  0.227167D+01  0.742590D+00  0.395507D+01
      3   0.601054D+00  0.904078D+00  0.742590D+00 -0.223478D+00 -0.330561D+01
                11            12            13            14            15 
      1   0.395507D+01 -0.330561D+01  0.551400D+01  0.129731D+01 -0.113365D+01
      2   0.854718D+00 -0.509447D+00  0.129731D+01 -0.275794D+01 -0.281000D+01
      3  -0.509447D+00  0.757944D+00 -0.113365D+01 -0.281000D+01 -0.597478D+00
                16            17            18            19            20 
      1  -0.230196D+01 -0.714049D+00  0.897152D+00 -0.898458D+01 -0.451672D+01
      2  -0.714049D+00 -0.227425D+01 -0.739014D+00 -0.451672D+01 -0.141029D+01
      3   0.897152D+00 -0.739014D+00  0.225062D+00  0.493472D+01  0.133294D+01
                21            22            23            24            25 
      1   0.493472D+01 -0.151036D+01 -0.692364D+00  0.177536D+00  0.302726D+01
      2   0.133294D+01 -0.692364D+00  0.156120D+01  0.134756D+01  0.112341D+01
      3  -0.196930D+01  0.177536D+00  0.134756D+01 -0.718545D+00 -0.186525D+01
                26            27            28            29            30 
      1   0.112341D+01 -0.186525D+01  0.153295D+01  0.105086D-01  0.358444D-02
      2   0.175671D+01 -0.996406D+00  0.105086D-01 -0.181726D+01 -0.147450D+01
      3  -0.996406D+00 -0.158239D+01  0.358444D-02 -0.147450D+01  0.207120D+00
                31            32            33            34            35 
      1   0.139707D-01 -0.176564D+01  0.173552D+01  0.861824D-02 -0.862214D-01
      2  -0.176564D+01 -0.546457D-02  0.203586D-02 -0.862214D-01  0.143902D-01
      3   0.173552D+01  0.203586D-02  0.375103D-02  0.107591D+00  0.382193D-02
                36            37            38            39            40 
      1   0.107591D+00  0.504666D+01  0.392895D+01 -0.182504D+01  0.589081D+01
      2   0.382193D-02  0.392895D+01  0.146030D+01 -0.291051D+01  0.350527D+01
      3   0.346283D-02 -0.182504D+01 -0.291051D+01  0.180770D+01 -0.355995D+01
                41            42            43            44            45 
      1   0.350527D+01 -0.355995D+01 -0.140333D+01 -0.178171D+01  0.239932D+01
      2   0.321661D+01 -0.254661D+01 -0.178171D+01 -0.132092D+01 -0.860790D-01
      3  -0.254661D+01  0.539812D+00  0.239932D+01 -0.860790D-01  0.654579D+00
                46            47            48            49            50 
      1  -0.295546D+01 -0.100878D+01 -0.257083D+00 -0.213015D+01 -0.249327D+01
      2  -0.100878D+01 -0.105945D+01  0.313448D+01 -0.249327D+01 -0.144078D+01
      3  -0.257083D+00  0.313448D+01 -0.195723D+01  0.316842D+01  0.261735D+01
                51            52            53            54            55 
      1   0.316842D+01  0.910630D-01  0.417550D+01 -0.273089D+01  0.861669D+00
      2   0.261735D+01  0.417550D+01  0.315174D+01 -0.712590D+00 -0.100372D+01
      3  -0.192632D+00 -0.273089D+01 -0.712590D+00  0.325842D+00  0.924018D+00
                56            57            58            59            60 
      1  -0.100372D+01  0.924018D+00 -0.358518D+00 -0.406763D+00 -0.274316D+01
      2  -0.205577D+01 -0.275261D+01 -0.406763D+00 -0.529401D+01 -0.321845D+01
      3  -0.275261D+01  0.941490D+00 -0.274316D+01 -0.321845D+01 -0.153765D+01
                61            62            63            64            65 
      1   0.135550D+01 -0.332410D+01  0.871450D+00  0.128399D+01  0.370562D+00
      2  -0.332410D+01 -0.450973D+01 -0.244817D+01  0.370562D+00  0.351048D+01
      3   0.871450D+00 -0.244817D+01 -0.195814D+00 -0.612333D+00  0.215610D+01
                66            67            68            69            70 
      1  -0.612333D+00 -0.365701D+00  0.850041D+00  0.153592D+01 -0.353814D+00
      2   0.215610D+01  0.850041D+00  0.110061D+02  0.460216D+01  0.922903D+00
      3  -0.525229D+00  0.153592D+01  0.460216D+01  0.158686D+01 -0.128481D+01
                71            72            73            74            75 
      1   0.922903D+00 -0.128481D+01 -0.900460D+01  0.449190D+01 -0.493614D+01
      2   0.281495D+01  0.189097D+01  0.449190D+01 -0.136888D+01  0.132575D+01
      3   0.189097D+01 -0.694408D+00 -0.493614D+01  0.132575D+01 -0.198182D+01
                76            77            78            79            80 
      1   0.147752D+01 -0.660179D+00  0.164245D+00 -0.303466D+01  0.112572D+01
      2  -0.660179D+00 -0.157044D+01 -0.134874D+01  0.112572D+01 -0.175895D+01
      3   0.164245D+00 -0.134874D+01  0.700374D+00 -0.187746D+01  0.981517D+00
                81            82            83            84            85 
      1  -0.187746D+01  0.508433D+01 -0.392299D+01  0.183726D+01 -0.589153D+01
      2   0.981517D+00 -0.392299D+01  0.145306D+01 -0.292347D+01  0.348795D+01
      3   0.158366D+01  0.183726D+01 -0.292347D+01  0.180236D+01 -0.357348D+01
                86            87            88            89            90 
      1   0.348795D+01 -0.357348D+01  0.140053D+01 -0.178613D+01  0.239165D+01
      2  -0.319893D+01  0.252026D+01 -0.178613D+01  0.130248D+01  0.943642D-01
      3   0.252026D+01 -0.534508D+00  0.239165D+01  0.943642D-01 -0.645263D+00
                91            92            93            94            95 
      1  -0.297207D+01  0.100521D+01  0.231333D+00  0.213352D+01 -0.249719D+01
      2   0.100521D+01 -0.107290D+01  0.315340D+01 -0.249719D+01  0.143292D+01
      3   0.231333D+00  0.315340D+01 -0.194721D+01  0.318515D+01 -0.259237D+01
                96            97            98            99           100 
      1   0.318515D+01 -0.120982D+00  0.419126D+01 -0.272043D+01  0.849871D+00
      2  -0.259237D+01  0.419126D+01 -0.311704D+01  0.695445D+00  0.102354D+01
      3   0.179338D+00 -0.272043D+01  0.695445D+00 -0.331696D+00 -0.895705D+00
               101           102           103           104           105 
      1   0.102354D+01 -0.895705D+00  0.366249D+00 -0.406243D+00 -0.276201D+01
      2  -0.206049D+01 -0.277547D+01 -0.406243D+00  0.524950D+01  0.318554D+01
      3  -0.277547D+01  0.921895D+00 -0.276201D+01  0.318554D+01  0.154982D+01
               106           107           108           109           110 
      1  -0.132290D+01 -0.335170D+01  0.846882D+00  0.128832D+01 -0.382738D+00
      2  -0.335170D+01  0.448114D+01  0.246599D+01 -0.382738D+00  0.354399D+01
      3   0.846882D+00  0.246599D+01  0.207550D+00  0.593085D+00  0.217637D+01
               111           112           113           114           115 
      1   0.593085D+00  0.364112D+00  0.886528D+00  0.155439D+01  0.344762D+00
      2   0.217637D+01  0.886528D+00 -0.109722D+02 -0.458470D+01  0.935885D+00
      3  -0.514018D+00  0.155439D+01 -0.458470D+01 -0.159482D+01 -0.127237D+01
               116           117           118           119           120 
      1   0.935885D+00 -0.127237D+01  0.504447D+01  0.257652D+00  0.145296D+01
      2  -0.282383D+01 -0.190873D+01  0.257652D+00  0.137361D+01 -0.272131D+00
      3  -0.190873D+01  0.692338D+00  0.145296D+01 -0.272131D+00  0.146184D+01
               121           122           123           124           125 
      1  -0.831169D+00  0.815368D+00 -0.530312D+00  0.272795D+01 -0.403927D+00
      2   0.815368D+00 -0.916205D+00  0.349231D+00 -0.403927D+00  0.941485D+00
      3  -0.530312D+00  0.349231D+00 -0.424200D+00  0.193847D+01  0.519316D-02
               126           127           128           129           130 
      1   0.193847D+01  0.442772D+01  0.284379D+01 -0.152352D+01  0.301281D+01
      2   0.519316D-02  0.284379D+01  0.260899D+01 -0.140266D+01  0.319845D+01
      3   0.209497D+01 -0.152352D+01 -0.140266D+01  0.144326D+01 -0.149390D+01
               131           132           133           134           135 
      1   0.319845D+01 -0.149390D+01 -0.273004D+01 -0.276486D+01  0.244388D+01
      2   0.542985D+01 -0.201750D+01 -0.276486D+01 -0.311829D+01  0.235919D+01
      3  -0.201750D+01  0.160393D+01  0.244388D+01  0.235919D+01 -0.271165D+01
               136           137           138           139           140 
      1  -0.249618D+01  0.103184D+01 -0.101592D+01  0.941161D+00 -0.106656D+01
      2   0.103184D+01 -0.232099D+01  0.842110D+00 -0.106656D+01  0.356612D+01
      3  -0.101592D+01  0.842110D+00 -0.116431D+01  0.546442D+00 -0.828842D+00
               141           142           143           144           145 
      1   0.546442D+00 -0.177111D+01  0.978640D+00 -0.100198D+01  0.144970D+01
      2  -0.828842D+00  0.978640D+00 -0.187944D+01  0.167945D+01  0.199151D+01
      3   0.101348D+01 -0.100198D+01  0.167945D+01 -0.218078D+01  0.566692D+00
               146           147           148           149           150 
      1   0.199151D+01  0.566692D+00  0.157462D+01  0.193470D+01  0.844576D+00
      2   0.235838D+01  0.935529D+00  0.193470D+01  0.914001D+01  0.280957D+01
      3   0.935529D+00  0.613203D+00  0.844576D+00  0.280957D+01  0.196491D+01
               151           152           153           154           155 
      1   0.562682D+00  0.150117D+01  0.755921D+00 -0.248037D+01 -0.103405D+01
      2   0.150117D+01  0.514448D+01  0.314246D+01 -0.103405D+01 -0.232201D+01
      3   0.755921D+00  0.314246D+01  0.248414D+01  0.100612D+01  0.843143D+00
               156           157           158           159           160 
      1   0.100612D+01 -0.947882D+00 -0.106471D+01  0.547641D+00  0.175840D+01
      2   0.843143D+00 -0.106471D+01 -0.359835D+01  0.836380D+00  0.979445D+00
      3  -0.115649D+01  0.547641D+00  0.836380D+00 -0.102108D+01 -0.990784D+00
               161           162           163           164           165 
      1   0.979445D+00 -0.990784D+00  0.147493D+01 -0.200466D+01 -0.578700D+00
      2   0.189285D+01 -0.168439D+01 -0.200466D+01  0.238293D+01  0.950097D+00
      3  -0.168439D+01  0.217270D+01 -0.578700D+00  0.950097D+00  0.627227D+00
               166           167           168           169           170 
      1  -0.158309D+01  0.195210D+01  0.855756D+00 -0.579460D+00  0.152364D+01
      2   0.195210D+01 -0.908228D+01 -0.280415D+01  0.152364D+01 -0.513922D+01
      3   0.855756D+00 -0.280415D+01 -0.196664D+01  0.774002D+00 -0.314749D+01
               171           172           173           174           175 
      1   0.774002D+00  0.504326D+01 -0.240860D+00 -0.144667D+01  0.850087D+00
      2  -0.314749D+01 -0.240860D+00  0.137120D+01 -0.279346D+00  0.816593D+00
      3  -0.249864D+01 -0.144667D+01 -0.279346D+00  0.145767D+01 -0.536630D+00
               176           177           178           179           180 
      1   0.816593D+00 -0.536630D+00 -0.271716D+01 -0.415775D+00  0.193349D+01
      2   0.935656D+00 -0.352529D+00 -0.415775D+00 -0.944594D+00  0.571881D-02
      3  -0.352529D+00  0.432252D+00  0.193349D+01  0.571881D-02 -0.208836D+01
               181           182           183           184           185 
      1   0.446309D+01 -0.285183D+01  0.153329D+01 -0.302293D+01  0.320218D+01
      2  -0.285183D+01  0.261414D+01 -0.140563D+01  0.320218D+01 -0.540488D+01
      3   0.153329D+01 -0.140563D+01  0.144714D+01 -0.149617D+01  0.200562D+01
               186           187           188           189           190 
      1  -0.149617D+01  0.274594D+01 -0.276549D+01  0.244854D+01  0.458816D+01
      2   0.200562D+01 -0.276549D+01  0.309616D+01 -0.234850D+01  0.801550D+00
      3  -0.159752D+01  0.244854D+01 -0.234850D+01  0.270645D+01  0.190411D+01
               191           192           193           194           195 
      1   0.801550D+00  0.190411D+01  0.263040D+01  0.109356D+00  0.183672D+01
      2   0.186815D+01  0.690683D+00  0.109356D+00  0.209426D+01 -0.556693D-01
      3   0.690683D+00  0.161027D+01  0.183672D+01 -0.556693D-01  0.146649D+01
               196           197           198           199           200 
      1   0.104059D+01  0.965304D+00  0.971717D+00 -0.163774D+01  0.129913D+01
      2   0.965304D+00  0.152532D+00  0.565772D+00  0.129913D+01 -0.103063D+01
      3   0.971717D+00  0.565772D+00  0.179458D+01 -0.121902D+00  0.989038D+00
               201           202           203           204           205 
      1  -0.121902D+00 -0.100389D+00  0.458602D-01  0.261853D+00  0.136592D+01
      2   0.989038D+00  0.458602D-01 -0.124658D+01  0.936900D+00 -0.335809D+00
      3  -0.167482D+01  0.261853D+00  0.936900D+00 -0.139155D+01  0.264565D+00
               206           207           208           209           210 
      1  -0.335809D+00  0.264565D+00 -0.354609D+01 -0.100895D+01 -0.156925D+01
      2   0.148680D+01 -0.136932D+01 -0.100895D+01 -0.384295D+01 -0.199173D+01
      3  -0.136932D+01  0.581033D+01 -0.156925D+01 -0.199173D+01 -0.197336D+01
               211           212           213           214           215 
      1  -0.161872D+01 -0.128438D+01 -0.930253D+00 -0.125508D+01 -0.829143D+00
      2  -0.128438D+01 -0.156772D+01 -0.339603D+00 -0.829143D+00 -0.487820D-02
      3  -0.930253D+00 -0.339603D+00 -0.752367D+00 -0.943184D+00 -0.638521D+00
               216           217           218           219           220 
      1  -0.943184D+00  0.866427D+00 -0.688412D+00 -0.124132D+01 -0.423409D+00
      2  -0.638521D+00 -0.688412D+00  0.170330D+01  0.508604D+00 -0.777001D-01
      3  -0.183756D+01 -0.124132D+01  0.508604D+00  0.204755D+01 -0.217010D+00
               221           222           223           224           225 
      1  -0.777001D-01 -0.217010D+00 -0.119098D+01  0.241053D+00  0.109781D+01
      2   0.202811D+01  0.330920D+00  0.241053D+00 -0.169243D+01 -0.945062D+00
      3   0.330920D+00  0.630162D+00  0.109781D+01 -0.945062D+00 -0.564252D+01
               226           227           228           229           230 
      1   0.395733D+00  0.466009D+00  0.754920D+00  0.283562D+01 -0.121331D+01
      2   0.466009D+00 -0.103679D+01 -0.102807D+00 -0.121331D+01  0.581853D+01
      3   0.754920D+00 -0.102807D+00  0.169645D+00  0.969342D+00 -0.978730D+00
               231           232           233           234           235 
      1   0.969342D+00  0.178583D+01 -0.388283D+00  0.529991D+00  0.795829D+00
      2  -0.978730D+00 -0.388283D+00  0.621580D-01  0.462203D+00 -0.696172D+00
      3   0.138485D+01  0.529991D+00  0.462203D+00 -0.258088D+00  0.443655D-02
               236           237           238           239           240 
      1  -0.696172D+00  0.443655D-02 -0.123868D+01  0.103282D+00 -0.430548D+00
      2  -0.389400D-01 -0.360407D+00  0.103282D+00  0.723990D+00 -0.545159D+00
      3  -0.360407D+00  0.659736D+00 -0.430548D+00 -0.545159D+00 -0.356182D+00
               241           242           243           244           245 
      1  -0.210617D+01  0.298167D+00 -0.105863D+01 -0.355627D+01  0.101689D+01
      2   0.298167D+00 -0.111706D+01  0.120310D+01  0.101689D+01 -0.384330D+01
      3  -0.105863D+01  0.120310D+01 -0.714456D+01  0.158172D+01 -0.198836D+01
               246           247           248           249           250 
      1   0.158172D+01  0.161542D+01 -0.128057D+01 -0.926230D+00  0.126085D+01
      2  -0.198836D+01 -0.128057D+01  0.154359D+01  0.329726D+00 -0.824819D+00
      3  -0.197795D+01 -0.926230D+00  0.329726D+00  0.746980D+00 -0.946652D+00
               251           252           253           254           255 
      1  -0.824819D+00 -0.946652D+00  0.864308D+00  0.687596D+00  0.124411D+01
      2   0.231636D-02  0.638884D+00  0.687596D+00  0.171873D+01  0.516636D+00
      3   0.638884D+00  0.184170D+01  0.124411D+01  0.516636D+00  0.205570D+01
               256           257           258           259           260 
      1   0.428231D+00 -0.656102D-01 -0.211176D+00  0.119027D+01  0.241097D+00
      2  -0.656102D-01 -0.202009D+01 -0.328516D+00  0.241097D+00  0.169696D+01
      3  -0.211176D+00 -0.328516D+00 -0.617021D+00  0.109857D+01  0.954965D+00
               261           262           263           264           265 
      1   0.109857D+01  0.461146D+01 -0.798257D+00 -0.190582D+01 -0.261962D+01
      2   0.954965D+00 -0.798257D+00  0.187629D+01  0.681821D+00  0.109741D+00
      3   0.564274D+01 -0.190582D+01  0.681821D+00  0.160749D+01  0.182580D+01
               266           267           268           269           270 
      1   0.109741D+00  0.182580D+01 -0.103567D+01  0.963656D+00  0.963974D+00
      2  -0.209089D+01  0.681540D-01  0.963656D+00 -0.139028D+00 -0.561896D+00
      3   0.681540D-01 -0.145459D+01  0.963974D+00 -0.561896D+00 -0.177942D+01
               271           272           273           274           275 
      1  -0.162469D+01 -0.130226D+01  0.118951D+00  0.901435D-01  0.390249D-01
      2  -0.130226D+01 -0.103717D+01  0.987169D+00  0.390249D-01  0.123574D+01
      3   0.118951D+00  0.987169D+00 -0.167279D+01  0.262684D+00 -0.927704D+00
               276           277           278           279           280 
      1   0.262684D+00 -0.136863D+01 -0.340790D+00  0.269257D+00 -0.103247D+01
      2  -0.927704D+00 -0.340790D+00 -0.148962D+01  0.136443D+01 -0.684967D+00
      3   0.137697D+01  0.269257D+00  0.136443D+01 -0.582285D+01 -0.102038D+01
               281           282           283           284           285 
      1  -0.684967D+00 -0.102038D+01 -0.173567D+01 -0.125906D+01 -0.617729D+00
      2  -0.401204D+00 -0.170676D+00 -0.125906D+01 -0.410594D+01 -0.202708D+01
      3  -0.170676D+00 -0.433860D+00 -0.617729D+00 -0.202708D+01 -0.232814D+01
               286           287           288           289           290 
      1  -0.172401D+01 -0.398313D+00 -0.943149D+00 -0.946483D+01  0.236377D+01
      2  -0.398313D+00 -0.154068D+01 -0.142301D+01  0.236377D+01 -0.164952D+01
      3  -0.943149D+00 -0.142301D+01 -0.220320D+01 -0.259732D+01  0.628954D+00
               291           292           293           294           295 
      1  -0.259732D+01  0.462085D+01 -0.248012D+01  0.146282D+01 -0.283789D+01
      2   0.628954D+00 -0.248012D+01  0.138870D+01 -0.123584D+01  0.779756D+00
      3  -0.192648D+01  0.146282D+01 -0.123584D+01  0.938935D+00 -0.240054D+01
               296           297           298           299           300 
      1   0.779756D+00 -0.240054D+01 -0.943165D+01 -0.238761D+01  0.257921D+01
      2  -0.781983D+00  0.617436D+00 -0.238761D+01 -0.166564D+01  0.631265D+00
      3   0.617436D+00 -0.155420D+01  0.257921D+01  0.631265D+00 -0.191526D+01
               301           302           303           304           305 
      1  -0.465029D+01 -0.250666D+01  0.146453D+01  0.281773D+01  0.783241D+00
      2  -0.250666D+01 -0.141811D+01  0.124087D+01  0.783241D+00  0.785090D+00
      3   0.146453D+01  0.124087D+01 -0.944335D+00 -0.238926D+01 -0.625142D+00
               306           307           308           309           310 
      1  -0.238926D+01 -0.105399D+01  0.690376D+00  0.102428D+01  0.174715D+01
      2  -0.625142D+00  0.690376D+00 -0.418856D+00 -0.178153D+00 -0.127524D+01
      3   0.154277D+01  0.102428D+01 -0.178153D+00 -0.445370D+00 -0.626866D+00
               311           312           313           314           315 
      1  -0.127524D+01 -0.626866D+00  0.172787D+01 -0.401921D+00 -0.950256D+00
      2   0.409501D+01  0.202224D+01 -0.401921D+00  0.153634D+01  0.141851D+01
      3   0.202224D+01  0.232569D+01 -0.950256D+00  0.141851D+01  0.220004D+01
               316           317           318           319           320 
      1   0.784024D+00  0.700208D+00 -0.156797D-02  0.124834D+01  0.113195D+00
      2   0.700208D+00 -0.328021D-01 -0.359660D+00  0.113195D+00 -0.717963D+00
      3  -0.156797D-02 -0.359660D+00  0.651549D+00 -0.435169D+00  0.540637D+00
               321           322           323           324           325 
      1  -0.435169D+00  0.210428D+01  0.302380D+00 -0.106078D+01  0.414869D+00
      2   0.540637D+00  0.302380D+00  0.111635D+01 -0.119597D+01 -0.454185D+00
      3   0.371518D+00 -0.106078D+01 -0.119597D+01  0.714697D+01 -0.758084D+00
               326           327           328           329           330 
      1  -0.454185D+00 -0.758084D+00 -0.282918D+01 -0.120597D+01  0.965722D+00
      2  -0.101410D+01 -0.108128D+00 -0.120597D+01 -0.582987D+01  0.991576D+00
      3  -0.108128D+00  0.174655D+00  0.965722D+00  0.991576D+00 -0.138790D+01
               331           332           333 
      1  -0.177855D+01 -0.391880D+00  0.528111D+00
      2  -0.391880D+00 -0.546531D-01 -0.461725D+00
      3   0.528111D+00 -0.461725D+00  0.264968D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.235005D+01 -0.339976D+00  0.289072D-01  0.489730D+00 -0.209683D+01
      2  -0.266267D+01 -0.682204D+01  0.775499D+01 -0.685862D+01 -0.845044D+01
      3  -0.830181D+01 -0.185836D+01  0.300319D+01  0.221733D+01  0.102626D+02
                 6             7             8             9            10 
      1  -0.435856D+01  0.941631D+00 -0.738443D+00 -0.359372D+00  0.235571D+01
      2  -0.583504D+01  0.219306D+01  0.544241D-02 -0.118005D+01  0.270952D+01
      3   0.906559D+01  0.274405D+01  0.984333D+01  0.293993D+01  0.832423D+01
                11            12            13            14            15 
      1   0.403855D+00 -0.472412D-01 -0.429063D+00 -0.210950D+01 -0.436894D+01
      2  -0.685717D+01  0.774763D+01 -0.691850D+01  0.837362D+01  0.583619D+01
      3  -0.171870D+01  0.305567D+01  0.235924D+01 -0.102443D+02 -0.905072D+01
                16            17            18            19            20 
      1  -0.945770D+00 -0.730480D+00 -0.355737D+00  0.418935D+00  0.673129D+01
      2   0.215911D+01 -0.205341D-01  0.119895D+01 -0.143544D+02  0.127244D+01
      3   0.279879D+01 -0.984199D+01 -0.292589D+01 -0.743883D+01  0.481663D+01
                21            22            23            24            25 
      1   0.960543D+00  0.147343D+02  0.138995D+02 -0.831696D+01  0.802503D+01
      2  -0.426613D+01 -0.159719D+01 -0.247778D+01 -0.534891D+00 -0.199236D+02
      3  -0.856573D+00  0.207654D+02  0.153839D+02 -0.748707D+01  0.219863D+01
                26            27            28            29            30 
      1   0.569967D+01 -0.115338D+02 -0.265188D+01 -0.898436D-02  0.100350D-01
      2  -0.727810D+01  0.192061D+02 -0.153200D-01  0.207363D+01  0.407665D+01
      3  -0.267496D+01  0.656923D+00 -0.299299D-03 -0.653242D+01  0.143615D+01
                31            32            33            34            35 
      1  -0.213464D-01  0.548678D+00 -0.380389D+01  0.291382D-03  0.314491D+01
      2   0.132394D+00 -0.754985D-03 -0.732073D-02 -0.270124D+01  0.868885D-02
      3   0.446644D+01  0.160057D-01  0.234184D-01  0.733753D+00  0.974723D-02
                36            37            38            39            40 
      1   0.880516D-01 -0.763241D+01  0.743490D+01  0.740992D+01  0.808686D+01
      2  -0.127871D-01 -0.160678D+02 -0.689366D+01  0.648743D+01  0.159539D+01
      3  -0.388234D-03 -0.212903D+02 -0.234142D+01  0.114972D+02  0.131780D+02
                41            42            43            44            45 
      1   0.843074D+01 -0.186326D+01  0.100267D+02  0.722334D+01 -0.659907D+01
      2  -0.661959D+00 -0.933748D+01 -0.140215D+02 -0.143890D+02  0.154976D+02
      3   0.128806D+02 -0.490339D+01  0.517678D+01 -0.481262D+01  0.250988D+01
                46            47            48            49            50 
      1   0.565887D+01 -0.397058D+01  0.353204D+01 -0.258239D+01 -0.712961D+01
      2  -0.371015D+01  0.527781D+01 -0.280275D+01  0.324216D+01  0.504555D+01
      3  -0.474045D+01  0.177750D+01 -0.846960D+01  0.808396D+01 -0.250826D+01
                51            52            53            54            55 
      1  -0.686227D+01  0.248970D+01 -0.262113D+01  0.858851D+00 -0.483562D+00
      2   0.332284D+01 -0.497715D+01  0.364876D+01 -0.864762D+00 -0.109550D+01
      3  -0.370725D+01 -0.122390D+02 -0.132069D+01 -0.602164D+01  0.750483D+01
                56            57            58            59            60 
      1   0.734738D+01 -0.763236D+01  0.955833D+01  0.220179D+01 -0.311838D-02
      2  -0.324441D+01  0.462822D+01 -0.311793D+01  0.700898D+00  0.630940D+00
      3  -0.628924D+01  0.126454D+01 -0.348429D+00 -0.693812D+00 -0.890181D+01
                61            62            63            64            65 
      1  -0.666477D+01  0.199472D+01 -0.918229D+00  0.343208D+00  0.234495D+01
      2   0.275633D+00  0.486086D+00  0.329345D+00 -0.287310D+01  0.139764D+02
      3   0.531881D+01 -0.109947D+02  0.641737D+01  0.329068D+00 -0.258147D+02
                66            67            68            69            70 
      1   0.690711D+01 -0.356025D+01 -0.137161D+02  0.327686D+01  0.619029D+01
      2   0.999427D+01  0.880874D+01 -0.375962D+01 -0.471255D+01  0.115459D+01
      3  -0.102580D+02 -0.918224D+01  0.820062D+01  0.774110D+01 -0.638712D+01
                71            72            73            74            75 
      1   0.233189D+02  0.159521D+02  0.461100D+00 -0.679275D+01 -0.893821D+00
      2  -0.938395D+00  0.182795D+01  0.144231D+02  0.127563D+01 -0.419898D+01
      3   0.214797D+01 -0.238197D+01  0.736949D+01  0.487606D+01 -0.870972D+00
                76            77            78            79            80 
      1  -0.147653D+02  0.138229D+02 -0.829474D+01 -0.797625D+01  0.567575D+01
      2  -0.162095D+01  0.254273D+01  0.517646D+00 -0.199079D+02  0.726416D+01
      3   0.207769D+02 -0.152885D+02  0.745243D+01  0.220057D+01  0.267481D+01
                81            82            83            84            85 
      1  -0.114643D+02 -0.763694D+01 -0.745242D+01 -0.746319D+01 -0.814370D+01
      2  -0.192565D+02  0.159903D+02 -0.689980D+01  0.643467D+01  0.162833D+01
      3  -0.689797D+00  0.212029D+02 -0.228522D+01  0.115130D+02  0.132863D+02
                86            87            88            89            90 
      1   0.838111D+01 -0.191458D+01 -0.100180D+02  0.713482D+01 -0.655451D+01
      2   0.631790D+00  0.939522D+01 -0.140718D+02  0.143761D+02 -0.154718D+02
      3  -0.128616D+02  0.497021D+01  0.516775D+01  0.485204D+01 -0.251183D+01
                91            92            93            94            95 
      1   0.562144D+01  0.400860D+01 -0.346230D+01  0.262612D+01 -0.705532D+01
      2   0.370824D+01  0.533260D+01 -0.277159D+01  0.327314D+01 -0.500317D+01
      3   0.471662D+01  0.184278D+01 -0.849215D+01  0.810050D+01  0.254669D+01
                96            97            98            99           100 
      1  -0.688411D+01 -0.242936D+01 -0.265120D+01  0.836263D+00 -0.401928D+00
      2  -0.338370D+01 -0.494157D+01 -0.370965D+01  0.853855D+00  0.112965D+01
      3   0.364089D+01 -0.122309D+02  0.123194D+01  0.602098D+01 -0.745170D+01
               101           102           103           104           105 
      1  -0.738796D+01  0.756944D+01 -0.959406D+01  0.218263D+01  0.750161D-01
      2  -0.326884D+01  0.464907D+01 -0.315441D+01 -0.716107D+00 -0.612576D+00
      3  -0.636995D+01  0.121544D+01 -0.396246D+00  0.613410D+00  0.893177D+01
               106           107           108           109           110 
      1   0.660253D+01  0.206390D+01 -0.879542D+00  0.318985D+00 -0.234587D+01
      2   0.285776D+00 -0.477172D+00 -0.324449D+00  0.279922D+01  0.139568D+02
      3   0.524933D+01  0.110529D+02 -0.636829D+01 -0.214968D+00 -0.257674D+02
               111           112           113           114           115 
      1  -0.695130D+01  0.358986D+01 -0.137587D+02  0.319723D+01 -0.626261D+01
      2   0.994341D+01  0.882101D+01  0.380000D+01  0.476557D+01  0.112245D+01
      3  -0.102170D+02 -0.914648D+01 -0.832214D+01 -0.777997D+01 -0.636352D+01
               116           117           118           119           120 
      1   0.232935D+02  0.159728D+02 -0.428517D+01  0.111613D+01 -0.315790D+01
      2   0.101870D+01 -0.177942D+01  0.514749D+01 -0.114478D+01  0.550188D+01
      3  -0.217431D+01  0.236813D+01  0.117495D+02 -0.480346D+01  0.491802D+01
               121           122           123           124           125 
      1   0.154348D+01 -0.106487D+01  0.683835D+00 -0.430059D+01  0.230967D+01
      2  -0.189607D+01  0.138535D+01 -0.219913D+01  0.432712D+01 -0.649419D+00
      3  -0.376774D+01  0.720736D+01 -0.287041D+01  0.837825D+01 -0.516474D+01
               126           127           128           129           130 
      1  -0.602372D+01  0.159839D+01  0.109814D+01 -0.366759D+01  0.204832D+01
      2   0.706740D+01 -0.829110D+00 -0.131502D+01  0.370967D+01 -0.177321D+01
      3   0.490623D+01  0.468191D+01 -0.578729D+00 -0.813538D+00  0.114585D+01
               131           132           133           134           135 
      1   0.108187D+01 -0.420866D+01 -0.192357D+01  0.215432D+00  0.542819D+01
      2  -0.239576D+01  0.362443D+01  0.108361D+01  0.198814D+01 -0.494476D+01
      3  -0.549653D+01  0.712195D+00  0.902077D+00  0.376671D+01  0.273923D+00
               136           137           138           139           140 
      1   0.462906D+01 -0.335777D+01  0.517230D+01 -0.245785D+01  0.339787D+01
      2  -0.967130D+00  0.628273D+00  0.400975D+00  0.573621D+00 -0.659799D+00
      3  -0.123666D+02  0.333828D+01 -0.504543D+01  0.438212D+01 -0.665135D+01
               141           142           143           144           145 
      1  -0.402315D+01  0.434586D+01 -0.406479D+01  0.909536D+01 -0.440478D+00
      2   0.201526D+00 -0.230329D+01  0.507240D+00 -0.163100D+01 -0.398414D+00
      3   0.275370D+01 -0.864890D+01  0.462588D+01 -0.492422D+01  0.313693D+01
               146           147           148           149           150 
      1  -0.206296D+01 -0.196060D+01 -0.994809D+00 -0.386294D+01 -0.704669D+01
      2   0.144426D+00  0.943254D+00 -0.472962D+00  0.118868D+01  0.203214D+01
      3   0.344142D+01  0.878207D+00  0.527435D+01 -0.228209D+01 -0.371741D+00
               151           152           153           154           155 
      1  -0.459124D+00 -0.245541D+01 -0.681192D+01  0.458471D+01  0.337508D+01
      2  -0.144670D+01  0.454846D+00  0.212196D+01  0.965303D+00  0.639437D+00
      3   0.262423D+01  0.268175D+01 -0.381022D+00  0.123209D+02  0.339447D+01
               156           157           158           159           160 
      1  -0.514727D+01  0.247111D+01  0.342739D+01 -0.406342D+01 -0.430270D+01
      2   0.389003D+00  0.585458D+00  0.669498D+00 -0.216164D+00 -0.230171D+01
      3  -0.501449D+01  0.443338D+01  0.671114D+01 -0.277491D+01 -0.861383D+01
               161           162           163           164           165 
      1  -0.409844D+01  0.906822D+01 -0.462737D+00  0.207820D+01  0.200030D+01
      2  -0.534660D+00  0.165618D+01  0.401391D+00  0.156362D+00  0.963050D+00
      3  -0.466803D+01  0.490728D+01 -0.318453D+01  0.342539D+01  0.886127D+00
               166           167           168           169           170 
      1   0.102301D+01 -0.386392D+01 -0.703359D+01  0.490285D+00 -0.246780D+01
      2  -0.461863D+00 -0.120915D+01 -0.205653D+01 -0.144571D+01 -0.467488D+00
      3   0.524325D+01  0.230547D+01  0.366782D+00  0.264832D+01 -0.268328D+01
               171           172           173           174           175 
      1  -0.684368D+01 -0.425039D+01 -0.112807D+01  0.312612D+01 -0.155174D+01
      2  -0.216004D+01 -0.514715D+01 -0.117393D+01  0.549611D+01 -0.192202D+01
      3   0.365468D+00 -0.117327D+02 -0.485234D+01  0.491036D+01 -0.380968D+01
               176           177           178           179           180 
      1  -0.107933D+01  0.697200D+00  0.426062D+01  0.234080D+01 -0.598235D+01
      2  -0.141088D+01  0.223481D+01  0.432815D+01  0.689039D+00 -0.707115D+01
      3  -0.728077D+01  0.289850D+01  0.835341D+01  0.521206D+01 -0.490688D+01
               181           182           183           184           185 
      1   0.160146D+01 -0.109059D+01  0.366567D+01 -0.203686D+01  0.105420D+01
      2   0.840944D+00 -0.132265D+01  0.373320D+01 -0.178279D+01  0.237915D+01
      3  -0.469105D+01 -0.621350D+00 -0.807602D+00  0.110542D+01  0.549856D+01
               186           187           188           189           190 
      1  -0.418304D+01  0.191037D+01  0.230777D+00  0.540041D+01  0.443265D+01
      2  -0.362474D+01  0.108558D+01 -0.197040D+01  0.495211D+01 -0.320152D+01
      3  -0.709941D+00  0.910053D+00 -0.374519D+01 -0.275287D+00 -0.703881D+01
               191           192           193           194           195 
      1   0.412098D+01  0.318086D+01  0.388361D+01  0.580382D+01  0.179525D+01
      2  -0.956060D+00  0.785604D+00 -0.449648D+01  0.308212D+00 -0.204966D+00
      3  -0.600441D+01 -0.350084D+01 -0.576454D+01 -0.690525D+01 -0.311920D+01
               196           197           198           199           200 
      1   0.217781D+01  0.222982D+01  0.267855D+01  0.161409D+01 -0.195031D+01
      2   0.439764D+00  0.648630D+00  0.120002D+01  0.385852D-01  0.196614D+01
      3  -0.208995D+01 -0.587200D+00 -0.299847D+01 -0.172163D+01  0.225532D+01
               201           202           203           204           205 
      1  -0.650354D+00  0.506159D+00 -0.558581D+00 -0.857102D+00 -0.236890D-01
      2  -0.520859D+01  0.142131D+01  0.171568D+01 -0.288644D+01 -0.180376D+01
      3  -0.250717D+01  0.129170D+01  0.135880D+01 -0.184455D+01 -0.226568D+00
               206           207           208           209           210 
      1   0.170939D+01  0.401112D+01 -0.298331D+01  0.329017D+01 -0.202436D+01
      2  -0.268079D+01  0.114316D+02 -0.829747D+01 -0.318805D+01 -0.299287D+01
      3  -0.249149D+01  0.226840D+01  0.121574D+02  0.267572D+01  0.525480D+01
               211           212           213           214           215 
      1   0.136615D+00 -0.730996D+00 -0.167044D+01 -0.231710D+01 -0.404378D+00
      2  -0.179470D+01 -0.123759D+01 -0.116797D+01 -0.259688D+01 -0.548460D+00
      3   0.292014D+01  0.213874D+01  0.149323D+01  0.209908D+01  0.153859D+01
               216           217           218           219           220 
      1  -0.238441D+01 -0.216417D+01 -0.714995D+00  0.500703D+01 -0.220133D+00
      2  -0.178783D+01  0.189481D+01 -0.155367D+01 -0.141554D+01  0.705343D+00
      3   0.298508D+01 -0.231543D+01  0.960636D+00  0.288965D+01 -0.163079D-01
               221           222           223           224           225 
      1   0.159831D+00  0.244418D+01  0.208964D+01  0.387205D+00 -0.116280D+02
      2  -0.180062D+01 -0.119630D+01 -0.276243D+01  0.657498D+00  0.185479D+01
      3   0.257673D+01  0.118099D+01  0.239067D+01 -0.106566D+01 -0.234796D+01
               226           227           228           229           230 
      1   0.447287D-01 -0.871976D+00  0.561133D+00  0.188183D+01 -0.100136D+02
      2   0.123475D+01  0.687332D+00  0.139154D+01  0.305655D+01  0.681864D+00
      3   0.971549D+00  0.309318D+00 -0.214001D+00  0.172074D+01  0.121745D+02
               231           232           233           234           235 
      1  -0.212945D+00  0.186029D+01 -0.202550D+01 -0.993322D-02 -0.121888D+01
      2  -0.114180D+01  0.176304D+01 -0.176131D+01  0.818903D+00  0.190902D+01
      3  -0.135195D+01  0.813295D+00  0.201584D+01  0.664169D+00  0.163604D+01
               236           237           238           239           240 
      1   0.533725D+00 -0.161996D+01  0.697962D+00  0.141599D+00  0.146080D+01
      2   0.956991D+00 -0.209398D+01 -0.603604D+00  0.163480D+01  0.647568D+00
      3  -0.687649D+00 -0.380251D+00  0.351466D-01  0.564866D+00 -0.164388D+01
               241           242           243           244           245 
      1   0.148734D+01  0.832300D+00  0.693517D+01 -0.299503D+01 -0.327647D+01
      2  -0.195561D+01 -0.266847D+01  0.136962D+02  0.829146D+01 -0.318361D+01
      3  -0.248369D+01 -0.157964D+01  0.135621D+01 -0.121639D+02  0.264772D+01
               246           247           248           249           250 
      1   0.205030D+01 -0.135812D+00 -0.748613D+00 -0.166944D+01  0.233014D+01
      2  -0.298936D+01 -0.177210D+01  0.121459D+01  0.115268D+01 -0.259053D+01
      3   0.526286D+01  0.288608D+01 -0.212450D+01 -0.147817D+01  0.210812D+01
               251           252           253           254           255 
      1  -0.398056D+00 -0.239530D+01 -0.216698D+01  0.711658D+00 -0.502456D+01
      2   0.545138D+00  0.178255D+01 -0.190769D+01 -0.156755D+01 -0.143801D+01
      3  -0.154154D+01 -0.299380D+01  0.232317D+01  0.982425D+00  0.290282D+01
               256           257           258           259           260 
      1   0.208389D+00  0.142018D+00  0.240672D+01 -0.209145D+01  0.368738D+00
      2   0.690001D+00  0.179844D+01  0.119667D+01 -0.277101D+01 -0.670214D+00
      3  -0.925714D-03 -0.256752D+01 -0.117027D+01  0.239317D+01  0.107744D+01
               261           262           263           264           265 
      1  -0.116182D+02  0.444981D+01 -0.412824D+01 -0.316853D+01 -0.386845D+01
      2  -0.189878D+01  0.324632D+01 -0.972997D+00  0.778580D+00 -0.451336D+01
      3   0.236026D+01  0.709756D+01 -0.603638D+01 -0.349514D+01 -0.578056D+01
               266           267           268           269           270 
      1   0.579293D+01  0.176214D+01 -0.216737D+01  0.220775D+01  0.265451D+01
      2  -0.282194D+00  0.209351D+00  0.450232D+00 -0.640208D+00 -0.118581D+01
      3   0.690952D+01  0.308386D+01 -0.207138D+01  0.559028D+00  0.298061D+01
               271           272           273           274           275 
      1   0.159658D+01  0.194005D+01  0.670487D+00 -0.505042D+00 -0.541223D+00
      2  -0.259978D-01  0.197114D+01 -0.520598D+01  0.141992D+01 -0.169593D+01
      3   0.171928D+01  0.225467D+01 -0.249787D+01  0.129583D+01 -0.133381D+01
               276           277           278           279           280 
      1  -0.858634D+00  0.224692D-01  0.170964D+01  0.406238D+01  0.700721D+00
      2   0.284479D+01 -0.179245D+01  0.266992D+01 -0.114530D+02  0.399517D+01
      3   0.182790D+01 -0.225113D+00  0.249271D+01 -0.225203D+01 -0.268700D+01
               281           282           283           284           285 
      1   0.680798D-01  0.152935D+00  0.122423D+01  0.526120D+01  0.508120D+00
      2  -0.524749D+00  0.353129D+00 -0.776854D+00  0.610861D+01  0.838022D+01
      3  -0.942303D+00 -0.453301D+00 -0.105906D+01 -0.159561D+02 -0.738425D+01
               286           287           288           289           290 
      1   0.107092D+00  0.309150D+01  0.115833D+01 -0.129492D+01  0.162866D+01
      2  -0.602581D+00  0.510081D+01  0.629832D+01 -0.105224D+01 -0.259717D+00
      3  -0.969583D+00 -0.578892D+01 -0.571015D+01  0.456686D+01 -0.664763D+01
               291           292           293           294           295 
      1  -0.453324D-01  0.162887D+01 -0.141466D+01 -0.118111D+00 -0.109341D+00
      2   0.607135D+01  0.393656D+01  0.126565D+01 -0.153918D+01  0.252615D+01
      3   0.204131D+01 -0.315103D+01  0.476420D+01 -0.345900D+01  0.179013D-01
               296           297           298           299           300 
      1   0.138186D+01  0.169166D-01 -0.128893D+01 -0.162278D+01  0.189830D-01
      2  -0.155740D+01  0.290091D+01  0.103190D+01 -0.255488D+00  0.606362D+01
      3  -0.324828D+01  0.105320D+01 -0.455541D+01 -0.666168D+01  0.202605D+01
               301           302           303           304           305 
      1  -0.164916D+01 -0.142233D+01 -0.129982D+00  0.993229D-01  0.136985D+01
      2   0.395509D+01 -0.125062D+01  0.156782D+01  0.252407D+01  0.157212D+01
      3  -0.317198D+01 -0.482354D+01  0.346346D+01  0.105306D-01  0.324123D+01
               306           307           308           309           310 
      1   0.254942D-01  0.716948D+00 -0.948173D-01 -0.158169D+00 -0.124614D+01
      2  -0.287712D+01 -0.398649D+01 -0.503450D+00  0.399683D+00 -0.751922D+00
      3  -0.105597D+01  0.269123D+01 -0.102392D+01 -0.495099D+00 -0.115065D+01
               311           312           313           314           315 
      1   0.526085D+01  0.524952D+00 -0.122538D+00  0.310144D+01  0.117188D+01
      2  -0.608108D+01 -0.837641D+01 -0.567271D+00 -0.508474D+01 -0.629318D+01
      3   0.159511D+02  0.737667D+01 -0.100331D+01  0.578586D+01  0.570604D+01
               316           317           318           319           320 
      1  -0.120540D+01 -0.542788D+00  0.161472D+01 -0.708760D+00  0.147946D+00
      2  -0.190601D+01  0.943638D+00 -0.207231D+01 -0.612620D+00 -0.162979D+01
      3  -0.163904D+01 -0.699215D+00 -0.374522D+00  0.178178D-01 -0.559034D+00
               321           322           323           324           325 
      1   0.148517D+01 -0.148940D+01  0.822729D+00  0.699178D+01  0.656643D-01
      2  -0.677429D+00 -0.195662D+01  0.264339D+01 -0.136755D+02 -0.125980D+01
      3   0.164634D+01 -0.249126D+01  0.156369D+01 -0.132857D+01 -0.964272D+00
               326           327           328           329           330 
      1   0.908436D+00 -0.563998D+00 -0.186712D+01 -0.100096D+02 -0.199337D+00
      2   0.686358D+00  0.138657D+01  0.305314D+01 -0.721863D+00  0.115022D+01
      3   0.354165D+00 -0.227108D+00  0.173622D+01 -0.121662D+02  0.137861D+01
               331           332           333 
      1  -0.185428D+01 -0.201889D+01 -0.899253D-02
      2   0.174648D+01  0.176207D+01 -0.826013D+00
      3   0.806595D+00 -0.199026D+01 -0.665923D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236108D+02  0.250639D+02 -0.211786D+02  0.298142D+02 -0.314379D+01
      2   0.152147D+02 -0.145115D+02  0.105981D+02 -0.171958D+02  0.319367D+01
      3   0.839614D+01 -0.105523D+02  0.105804D+02 -0.126184D+02 -0.498799D-01
      4   0.222537D+02 -0.658221D+01  0.397528D+01 -0.817371D+01 -0.111500D+02
      5  -0.208109D+02  0.536307D+01 -0.705858D+01  0.912544D+01 -0.178835D+02
      6   0.707978D+01 -0.703871D+00 -0.665010D+00 -0.431510D+01 -0.479773D+01
                 6             7             8             9            10 
      1   0.706945D+01 -0.148755D+02  0.510939D+01 -0.371543D+01 -0.232569D+02
      2  -0.426037D+01  0.649088D+01 -0.328816D+01 -0.178312D+00  0.149062D+02
      3  -0.280909D+01  0.838462D+01 -0.182123D+01  0.389374D+01  0.835070D+01
      4  -0.155246D+02  0.427187D+01 -0.131468D+02 -0.317339D+01 -0.223670D+02
      5  -0.548693D+01 -0.676451D+01 -0.330601D+01  0.174510D+01  0.206655D+02
      6  -0.586582D+01  0.362484D-01 -0.523405D+01 -0.166756D+01  0.710645D+01
                11            12            13            14            15 
      1  -0.250949D+02  0.211076D+02 -0.298907D+02 -0.356539D+01  0.695425D+01
      2   0.144892D+02 -0.105183D+02  0.172013D+02  0.344285D+01 -0.415753D+01
      3   0.106057D+02 -0.105894D+02  0.126894D+02  0.122532D+00 -0.279672D+01
      4  -0.693064D+01  0.397821D+01 -0.858497D+01  0.110729D+02  0.155909D+02
      5   0.528964D+01 -0.698582D+01  0.904189D+01  0.179697D+02  0.550364D+01
      6   0.779071D+00  0.689934D+00  0.441535D+01 -0.469891D+01 -0.581887D+01
                16            17            18            19            20 
      1   0.147808D+02  0.498279D+01 -0.365582D+01  0.180848D+02  0.130229D+02
      2  -0.640303D+01 -0.317587D+01 -0.191059D+00 -0.180050D+02 -0.953435D+01
      3  -0.837778D+01 -0.180692D+01  0.384687D+01 -0.798011D-01 -0.348860D+01
      4   0.423955D+01  0.131992D+02  0.317766D+01  0.457922D+01 -0.814078D+00
      5  -0.671485D+01  0.332247D+01 -0.176594D+01 -0.115530D+02 -0.314034D+01
      6  -0.959033D-02 -0.521363D+01 -0.166298D+01 -0.721074D+01  0.124018D+01
                21            22            23            24            25 
      1  -0.127327D+02  0.510283D+01  0.337480D+01  0.187027D+01 -0.497167D+01
      2   0.115618D+02 -0.396398D+01 -0.950266D+01  0.250365D+00  0.538518D+01
      3   0.117093D+01 -0.113885D+01  0.612786D+01 -0.212064D+01 -0.413510D+00
      4  -0.870159D+00 -0.535029D+00 -0.120326D+02 -0.139544D+01 -0.911151D+00
      5   0.688515D+01 -0.157872D+01 -0.255138D+01  0.168151D+01  0.519979D+01
      6   0.152301D+01  0.421019D-01  0.453426D+01  0.300081D+01  0.251098D+00
                26            27            28            29            30 
      1  -0.289099D+00  0.105052D+02 -0.974527D+01 -0.446329D-02  0.215636D-01
      2  -0.565301D+00  0.441920D+01  0.169484D+01 -0.619546D-03 -0.259506D-01
      3   0.854400D+00 -0.149244D+02  0.805043D+01  0.508284D-02  0.438704D-02
      4   0.446120D+00 -0.155082D+01  0.140593D-02 -0.497687D+01 -0.480639D+01
      5  -0.153088D+00  0.710784D+01  0.192509D-01 -0.281496D+01 -0.147156D+01
      6   0.289493D+01  0.269797D+01 -0.254241D+01 -0.554561D-02  0.587897D-02
                31            32            33            34            35 
      1  -0.129833D-01  0.142096D+01 -0.492008D+01  0.159038D-01 -0.744499D+01
      2   0.115187D-01 -0.884756D+01  0.626081D+01 -0.211162D-01  0.808327D+01
      3   0.146463D-02  0.742660D+01 -0.134073D+01  0.521244D-02 -0.638276D+00
      4  -0.636727D+01  0.411050D-02 -0.233949D-01 -0.773330D+01 -0.142257D-01
      5  -0.246001D+01 -0.668097D-02 -0.685229D-02  0.485992D+01 -0.391970D-02
      6  -0.498751D-02  0.331907D+01 -0.113357D+01  0.830045D-02  0.360538D+01
                36            37            38            39            40 
      1  -0.458688D+00 -0.786778D+01  0.153504D+01  0.101849D+02  0.214078D+00
      2  -0.660050D+00  0.121998D+02 -0.335170D+01 -0.755885D+01  0.170709D+01
      3   0.111874D+01 -0.433203D+01  0.181666D+01 -0.262605D+01 -0.192117D+01
      4  -0.449245D-02  0.119263D+02  0.674859D+01 -0.810392D+01  0.111961D+02
      5   0.143972D-01  0.264410D+01 -0.110652D+02  0.215624D+01 -0.107221D+02
      6  -0.700115D+00 -0.381154D+01 -0.514775D+01  0.634643D+01 -0.435903D+01
                41            42            43            44            45 
      1  -0.612487D+01 -0.486827D+01  0.864980D+01 -0.510748D+01  0.619602D+01
      2   0.551780D+01 -0.484113D+01 -0.409085D+01 -0.799070D+00  0.261403D+01
      3   0.607071D+00  0.970941D+01 -0.455895D+01  0.590655D+01 -0.881006D+01
      4   0.989135D+01 -0.967395D+01 -0.235904D+01 -0.566466D+01  0.281838D+01
      5  -0.473643D+01  0.340630D+01  0.153189D+01  0.109596D+01  0.157221D+01
      6  -0.330689D+01  0.582203D+00  0.442591D+01 -0.278799D+00  0.657946D+01
                46            47            48            49            50 
      1  -0.826067D+01  0.222607D+01 -0.129580D+02  0.272562D+01 -0.170529D+01
      2   0.239831D+01 -0.328899D+01  0.171010D+02 -0.763834D+01  0.478132D+00
      3   0.586236D+01  0.106292D+01 -0.414293D+01  0.491272D+01  0.122716D+01
      4  -0.136536D+02 -0.835408D+01  0.867058D+01 -0.149685D+02 -0.118743D+02
      5  -0.324519D+01  0.128240D+02 -0.889062D+01  0.136023D+02  0.127577D+02
      6   0.224086D+01  0.146539D+02 -0.100187D+02  0.149304D+02  0.125473D+02
                51            52            53            54            55 
      1   0.550965D+01 -0.154569D+02  0.652515D+01 -0.917725D+01  0.499258D+01
      2   0.762777D+01  0.191382D+02  0.519898D+01  0.469067D+01 -0.490472D+01
      3  -0.131374D+02 -0.368132D+01 -0.117241D+02  0.448659D+01 -0.878593D-01
      4   0.200431D+02  0.122313D+02  0.235594D+02 -0.109936D+02  0.391605D+01
      5  -0.186526D+01 -0.126540D+02 -0.386362D+01  0.116362D+01  0.979358D+00
      6  -0.492216D+01 -0.121654D+02 -0.497048D+01  0.233679D+01  0.434986D+01
                56            57            58            59            60 
      1   0.423987D+01  0.996108D+01  0.168355D+01  0.173107D+02  0.354875D+01
      2  -0.689809D+01 -0.189162D+02 -0.564979D+00 -0.261788D+02 -0.144237D+02
      3   0.265822D+01  0.895512D+01 -0.111857D+01  0.886813D+01  0.108750D+02
      4  -0.879596D+01 -0.711103D-02 -0.360660D+01 -0.121008D+02 -0.201203D+02
      5  -0.296760D+01 -0.591526D+00 -0.329119D+01 -0.905828D+01 -0.433946D+01
      6  -0.176556D+02  0.393016D+01 -0.169544D+02 -0.196950D+02 -0.115317D+02
                61            62            63            64            65 
      1   0.128732D+02  0.775861D+01  0.102252D+02  0.197701D+01 -0.568645D+01
      2  -0.206706D+02 -0.178345D+02 -0.140226D+02 -0.106263D+01  0.585815D+01
      3   0.779744D+01  0.100759D+02  0.379740D+01 -0.914378D+00 -0.171702D+00
      4   0.159675D+01 -0.233523D+02  0.169427D+01  0.758086D+01  0.200185D+01
      5   0.221382D-01 -0.376663D+01 -0.133944D+01  0.285521D+01 -0.275899D+01
      6   0.449905D+01 -0.159848D+02 -0.103087D+01 -0.645330D+01  0.807311D+01
                66            67            68            69            70 
      1  -0.993397D+00 -0.529917D+01 -0.109451D+02 -0.458447D+01 -0.213867D+01
      2   0.105754D+02  0.209086D+01  0.137031D+02  0.723731D+01  0.955787D+01
      3  -0.958204D+01  0.320831D+01 -0.275797D+01 -0.265284D+01 -0.741921D+01
      4  -0.239305D+01 -0.248525D+01  0.165477D+02  0.117708D+02 -0.277592D+01
      5  -0.353798D+01 -0.174753D+01  0.157253D+01  0.258769D+01 -0.235548D+01
      6  -0.124930D+00  0.870224D+01  0.116383D+02  0.554063D+01 -0.156624D+01
                71            72            73            74            75 
      1  -0.197864D+01  0.950965D+00  0.181551D+02 -0.129708D+02  0.126968D+02
      2   0.876494D+00  0.653273D+01 -0.180447D+02  0.951456D+01 -0.115659D+02
      3   0.110214D+01 -0.748370D+01 -0.110414D+00  0.345623D+01 -0.113091D+01
      4   0.559177D+01 -0.874498D+00 -0.441793D+01 -0.977565D+00 -0.791056D+00
      5   0.182736D+01 -0.531726D+01  0.115902D+02 -0.312589D+01  0.692735D+01
      6   0.328937D+01 -0.461573D+01 -0.715421D+01 -0.129645D+01 -0.152717D+01
                76            77            78            79            80 
      1  -0.503396D+01  0.317921D+01  0.188984D+01  0.496818D+01 -0.304003D+00
      2   0.391883D+01 -0.935469D+01  0.165376D+00 -0.539594D+01 -0.624212D+00
      3   0.111513D+01  0.617548D+01 -0.205522D+01  0.427763D+00  0.928215D+00
      4  -0.653404D+00  0.120735D+02  0.141390D+01 -0.879027D+00 -0.432369D+00
      5  -0.154290D+01  0.253112D+01 -0.163009D+01  0.522041D+01  0.188137D+00
      6  -0.995422D-01  0.450679D+01  0.298829D+01 -0.252345D+00  0.288083D+01
                81            82            83            84            85 
      1   0.105567D+02 -0.773308D+01 -0.152908D+01 -0.101525D+02 -0.240758D+00
      2   0.439345D+01  0.121005D+02  0.341463D+01  0.757645D+01 -0.159735D+01
      3  -0.149501D+02 -0.436742D+01 -0.188555D+01  0.257602D+01  0.183810D+01
      4   0.159348D+01 -0.120561D+02  0.675861D+01 -0.821939D+01  0.112029D+02
      5  -0.709371D+01 -0.257663D+01 -0.111272D+02  0.213350D+01 -0.107714D+02
      6   0.272766D+01 -0.384735D+01  0.515417D+01 -0.636942D+01  0.434735D+01
                86            87            88            89            90 
      1  -0.604851D+01 -0.499865D+01 -0.865375D+01 -0.521622D+01  0.616385D+01
      2   0.548181D+01 -0.473154D+01  0.411461D+01 -0.710555D+00  0.256080D+01
      3   0.566704D+00  0.973018D+01  0.453914D+01  0.592678D+01 -0.872464D+01
      4  -0.990669D+01  0.965785D+01 -0.242994D+01  0.564609D+01 -0.280582D+01
      5   0.465780D+01 -0.343192D+01  0.149412D+01 -0.111459D+01 -0.157873D+01
      6  -0.326600D+01  0.512169D+00 -0.444729D+01 -0.321736D+00  0.656218D+01
                91            92            93            94            95 
      1  -0.836475D+01 -0.226412D+01  0.128714D+02 -0.268458D+01 -0.183639D+01
      2   0.246528D+01  0.332584D+01 -0.170978D+02  0.758629D+01  0.570152D+00
      3   0.589947D+01 -0.106172D+01  0.422644D+01 -0.490171D+01  0.126624D+01
      4   0.136814D+02 -0.839974D+01  0.889687D+01 -0.150265D+02  0.118754D+02
      5   0.313018D+01  0.129648D+02 -0.888559D+01  0.137355D+02 -0.126936D+02
      6   0.237930D+01 -0.146762D+02  0.995375D+01 -0.149378D+02  0.123978D+02
                96            97            98            99           100 
      1   0.573918D+01  0.153477D+02  0.679527D+01 -0.921627D+01  0.505809D+01
      2   0.740463D+01 -0.190864D+02  0.492633D+01  0.477404D+01 -0.499006D+01
      3  -0.131438D+02  0.373868D+01 -0.117216D+02  0.444223D+01 -0.680289D-01
      4  -0.200318D+02  0.124758D+02 -0.235104D+02  0.108675D+02 -0.380764D+01
      5   0.183373D+01 -0.126530D+02  0.379601D+01 -0.118697D+01 -0.968812D+00
      6  -0.484040D+01  0.120739D+02 -0.487261D+01  0.234400D+01  0.417545D+01
               101           102           103           104           105 
      1  -0.416222D+01 -0.999119D+01 -0.163919D+01  0.171181D+02  0.331535D+01
      2   0.679654D+01  0.190110D+02  0.498737D+00 -0.258717D+02 -0.140981D+02
      3  -0.263432D+01 -0.901986D+01  0.114045D+01  0.875358D+01  0.107827D+02
      4  -0.894466D+01 -0.238707D+00 -0.368389D+01  0.120879D+02  0.202021D+02
      5  -0.309191D+01 -0.622640D+00 -0.340584D+01  0.910454D+01  0.441332D+01
      6   0.177889D+02 -0.379222D+01  0.170585D+02 -0.194636D+02 -0.115965D+02
               106           107           108           109           110 
      1  -0.129325D+02  0.750452D+01  0.102485D+02  0.197268D+01  0.570846D+01
      2   0.207859D+02 -0.175055D+02 -0.140949D+02 -0.109239D+01 -0.586067D+01
      3  -0.785339D+01  0.100010D+02  0.384637D+01 -0.880284D+00  0.152218D+00
      4   0.133225D+01  0.234963D+02 -0.149749D+01 -0.755974D+01  0.208162D+01
      5   0.297435D-02  0.388021D+01  0.136837D+01 -0.283232D+01 -0.272543D+01
      6  -0.433147D+01 -0.160800D+02 -0.111080D+01 -0.637669D+01 -0.815681D+01
               111           112           113           114           115 
      1   0.102164D+01  0.535300D+01 -0.107347D+02 -0.448980D+01  0.216992D+01
      2  -0.106058D+02 -0.213739D+01  0.134667D+02  0.706665D+01 -0.957918D+01
      3   0.958420D+01 -0.321561D+01 -0.273206D+01 -0.257685D+01  0.740926D+01
      4  -0.228082D+01 -0.242722D+01 -0.166160D+02 -0.118123D+02 -0.269309D+01
      5  -0.350515D+01 -0.171879D+01 -0.161922D+01 -0.262450D+01 -0.233451D+01
      6   0.612612D-01 -0.876942D+01  0.115683D+02  0.556148D+01  0.151548D+01
               116           117           118           119           120 
      1  -0.193898D+01  0.944209D+00  0.317021D+02 -0.234766D+01  0.996831D+01
      2   0.784046D+00  0.658143D+01 -0.179686D+02  0.531360D+01 -0.717750D+01
      3   0.115494D+01 -0.752564D+01 -0.137335D+02 -0.296595D+01 -0.279081D+01
      4  -0.563287D+01  0.817849D+00  0.163569D+02  0.782850D+01  0.301413D+01
      5  -0.185616D+01  0.532008D+01  0.102022D+02 -0.177122D+01  0.961152D+01
      6   0.332541D+01 -0.456439D+01  0.488841D+01 -0.631217D+00  0.547643D+01
               121           122           123           124           125 
      1  -0.854030D+01  0.619057D+01 -0.396472D+01  0.173710D+02 -0.301521D+01
      2   0.745341D+01 -0.573686D+01  0.255658D+01 -0.127092D+02  0.480436D+01
      3   0.108688D+01 -0.453712D+00  0.140814D+01 -0.466180D+01 -0.178915D+01
      4   0.345997D+01 -0.554731D+00  0.197102D+00  0.784816D+01  0.274932D+01
      5  -0.321133D+01  0.241491D+01 -0.229181D+01  0.132243D+02  0.163574D+00
      6  -0.157760D+01  0.511039D+00  0.289908D+00  0.757386D+01  0.208545D+01
               126           127           128           129           130 
      1   0.894318D+01  0.146082D+02  0.654483D+01 -0.367376D+01  0.267245D+01
      2  -0.772310D+01 -0.278840D+00  0.483132D+01 -0.822318D+00  0.104175D+02
      3  -0.122008D+01 -0.143294D+02 -0.113761D+02  0.449607D+01 -0.130900D+02
      4   0.552141D+01  0.286584D+02  0.232760D+02 -0.123300D+02  0.258193D+02
      5   0.124056D+02 -0.111065D+02 -0.915897D+01  0.101288D+02 -0.885592D+01
      6   0.783272D+01 -0.107926D+02 -0.933339D+01  0.840715D+01 -0.117246D+02
               131           132           133           134           135 
      1  -0.632699D+01  0.142467D+01 -0.268409D+01  0.170178D+01 -0.463655D-01
      2   0.236983D+02 -0.715611D+01 -0.316211D+01 -0.841590D+01  0.204695D+01
      3  -0.173714D+02  0.573143D+01  0.584620D+01  0.671412D+01 -0.200059D+01
      4   0.322452D+02 -0.143051D+02 -0.194452D+02 -0.199066D+02  0.166434D+02
      5  -0.111004D+02  0.802530D+01  0.147301D+02  0.118871D+02 -0.145491D+02
      6  -0.167629D+02  0.126127D+02  0.142958D+02  0.165088D+02 -0.171919D+02
               136           137           138           139           140 
      1  -0.526045D+01  0.882420D+01 -0.361996D+01  0.477188D+01 -0.160094D+02
      2   0.798506D+01 -0.158992D+02  0.602696D+01 -0.787330D+01  0.265812D+02
      3  -0.272461D+01  0.707496D+01 -0.240700D+01  0.310142D+01 -0.105718D+02
      4  -0.147668D+02  0.821983D+01 -0.582502D+01  0.655485D+01 -0.455173D+01
      5   0.155592D+01 -0.325297D+00  0.143458D+01 -0.395648D+00  0.898155D+00
      6  -0.721656D+01  0.652234D+01 -0.759439D+01  0.441837D+01 -0.682061D+01
               141           142           143           144           145 
      1   0.439740D+01 -0.646300D+01  0.101155D+02 -0.853181D+01 -0.178443D+01
      2  -0.586807D+01  0.700601D+01 -0.144445D+02  0.913734D+01  0.810211D+01
      3   0.147067D+01 -0.543013D+00  0.432900D+01 -0.605526D+00 -0.631768D+01
      4   0.375141D+01 -0.885900D+01  0.577625D+01 -0.487455D+01  0.118988D+02
      5   0.427342D+00  0.187356D+01  0.493544D+00 -0.269061D+00  0.331960D+01
      6   0.840387D+01 -0.686367D+01  0.138909D+02 -0.152581D+02  0.542476D+01
               146           147           148           149           150 
      1  -0.262987D+01 -0.179063D+01 -0.361204D+01 -0.326293D+02 -0.112163D+02
      2   0.113975D+02  0.450862D+01  0.106362D+02  0.603752D+02  0.182758D+02
      3  -0.876765D+01 -0.271799D+01 -0.702417D+01 -0.277459D+02 -0.705952D+01
      4   0.189464D+02  0.642769D+01  0.135110D+02  0.255997D+02  0.924131D+01
      5   0.520798D+01  0.452474D+01  0.310817D+01  0.873285D+01  0.503229D+01
      6   0.786708D+01  0.460403D+01  0.695795D+01  0.261086D+02  0.170222D+02
               151           152           153           154           155 
      1  -0.289846D+01 -0.172570D+02 -0.122221D+02 -0.534122D+01 -0.887593D+01
      2   0.583120D+01  0.263933D+02  0.148681D+02  0.805585D+01  0.159560D+02
      3  -0.293274D+01 -0.913633D+01 -0.264595D+01 -0.271462D+01 -0.708005D+01
      4   0.703769D+01  0.151920D+02  0.862006D+01  0.146524D+02  0.820264D+01
      5   0.440044D+01  0.790196D+01  0.689258D+01 -0.150946D+01 -0.300154D+00
      6   0.566927D+01  0.253848D+02  0.195448D+02 -0.715459D+01 -0.652052D+01
               156           157           158           159           160 
      1   0.364259D+01 -0.480602D+01 -0.161713D+02  0.444523D+01  0.649091D+01
      2  -0.605719D+01  0.789437D+01  0.268497D+02 -0.594431D+01 -0.703435D+01
      3   0.241460D+01 -0.308835D+01 -0.106783D+02  0.149908D+01  0.543436D+00
      4  -0.575365D+01  0.657664D+01  0.447423D+01 -0.373541D+01 -0.876429D+01
      5   0.140077D+01 -0.377143D+00 -0.869088D+00 -0.462403D+00  0.184081D+01
      6   0.754171D+01 -0.442209D+01 -0.687801D+01  0.845223D+01  0.678793D+01
               161           162           163           164           165 
      1   0.102044D+02 -0.855805D+01 -0.171106D+01  0.261018D+01  0.179463D+01
      2  -0.145730D+02  0.920171D+01  0.808131D+01 -0.114503D+02 -0.454909D+01
      3   0.436861D+01 -0.643658D+00 -0.637025D+01  0.884008D+01  0.275446D+01
      4  -0.571910D+01  0.478177D+01 -0.120884D+02  0.190604D+02  0.652481D+01
      5  -0.546938D+00  0.330022D+00 -0.339938D+01  0.528761D+01  0.459109D+01
      6   0.139239D+02 -0.152067D+02  0.550403D+01 -0.797255D+01 -0.469791D+01
               166           167           168           169           170 
      1   0.361923D+01 -0.322888D+02 -0.111430D+02  0.291872D+01 -0.171448D+02
      2  -0.107037D+02  0.598317D+02  0.181757D+02 -0.588940D+01  0.262483D+02
      3   0.708448D+01 -0.275429D+02 -0.703270D+01  0.297067D+01 -0.910350D+01
      4   0.136058D+02 -0.257695D+02 -0.935245D+01  0.716564D+01 -0.153755D+02
      5   0.317103D+01 -0.881885D+01 -0.509776D+01  0.447890D+01 -0.801745D+01
      6  -0.705228D+01  0.260445D+02  0.170227D+02 -0.579398D+01  0.253947D+02
               171           172           173           174           175 
      1  -0.121861D+02  0.317941D+02  0.242880D+01 -0.996093D+01  0.865188D+01
      2   0.148042D+02 -0.180621D+02 -0.533156D+01  0.718793D+01 -0.749888D+01
      3  -0.261815D+01 -0.137321D+02  0.290276D+01  0.277300D+01 -0.115300D+01
      4  -0.877013D+01 -0.161760D+02  0.778721D+01  0.292587D+01  0.344450D+01
      5  -0.701414D+01 -0.101803D+02 -0.182117D+01  0.960627D+01 -0.325454D+01
      6   0.196239D+02  0.482549D+01  0.648682D+00 -0.542553D+01  0.159256D+01
               176           177           178           179           180 
      1   0.625517D+01 -0.400547D+01 -0.173923D+02 -0.307913D+01  0.896865D+01
      2  -0.581162D+01  0.257934D+01  0.127442D+02  0.483841D+01 -0.775643D+01
      3  -0.443553D+00  0.142613D+01  0.464807D+01 -0.175928D+01 -0.121222D+01
      4   0.671493D+00 -0.203312D+00  0.769680D+01 -0.273244D+01 -0.542480D+01
      5  -0.243937D+01  0.233853D+01  0.132244D+02 -0.962988D-01 -0.123962D+02
      6   0.498686D+00  0.264726D+00 -0.750557D+01  0.204415D+01  0.775453D+01
               181           182           183           184           185 
      1   0.148594D+02 -0.663556D+01  0.375351D+01 -0.278217D+01 -0.612754D+01
      2  -0.416072D+00 -0.477624D+01  0.769679D+00 -0.103449D+02  0.234552D+02
      3  -0.144434D+02  0.114118D+02 -0.452319D+01  0.131270D+02 -0.173276D+02
      4  -0.288073D+02  0.233181D+02 -0.123745D+02  0.258937D+02 -0.322273D+02
      5   0.112004D+02 -0.919484D+01  0.101741D+02 -0.889942D+01  0.110896D+02
      6  -0.108259D+02  0.932566D+01 -0.840655D+01  0.117132D+02 -0.166403D+02
               186           187           188           189           190 
      1   0.132599D+01  0.281166D+01  0.155636D+01  0.718504D-01  0.200941D+02
      2  -0.704737D+01  0.306174D+01 -0.825537D+01  0.193910D+01 -0.163790D+02
      3   0.572138D+01 -0.587340D+01  0.669902D+01 -0.201095D+01 -0.371503D+01
      4   0.142883D+02 -0.195052D+02  0.198632D+02 -0.166318D+02  0.825315D+00
      5  -0.802837D+01  0.148004D+02 -0.118812D+02  0.145823D+02  0.155032D+02
      6   0.125449D+02 -0.142816D+02  0.164020D+02 -0.171087D+02  0.575826D+00
               191           192           193           194           195 
      1   0.488262D+01  0.758121D+01  0.791279D+01  0.513130D+01  0.367756D+01
      2  -0.664617D+01 -0.939424D+01 -0.871416D+01 -0.574873D+01 -0.628349D+01
      3   0.176355D+01  0.181303D+01  0.801376D+00  0.617424D+00  0.260593D+01
      4   0.661716D+01  0.134736D+01  0.110554D+01  0.740265D+01  0.541413D+00
      5   0.396451D+01  0.107750D+02  0.107144D+02  0.256640D+01  0.765167D+01
      6   0.145125D+01 -0.723991D+00  0.104563D+01  0.249678D+01  0.519790D+00
               196           197           198           199           200 
      1   0.331915D+01  0.124622D+01  0.178307D+01 -0.214608D+01 -0.243407D+01
      2  -0.658253D+01 -0.202158D+01 -0.778526D+01 -0.173068D+01  0.150871D+01
      3   0.326338D+01  0.775354D+00  0.600219D+01  0.387677D+01  0.925359D+00
      4   0.270430D+01  0.413152D+00  0.201476D+01  0.605374D+01 -0.280969D+01
      5   0.776876D+01  0.346698D+01  0.862129D+01 -0.239874D+01  0.200342D+01
      6   0.362361D+00  0.155050D+01 -0.797400D+00  0.234269D-01 -0.316462D+01
               201           202           203           204           205 
      1   0.697583D+01 -0.458596D+00 -0.498925D+01  0.612183D+01  0.254077D+01
      2   0.124745D+01 -0.418162D+00  0.212046D+01 -0.834499D+00 -0.162901D+01
      3  -0.822328D+01  0.876758D+00  0.286879D+01 -0.528733D+01 -0.911762D+00
      4   0.286921D+00  0.166736D+01 -0.182019D+01  0.557965D+00 -0.337599D+01
      5  -0.272096D+00  0.102024D+00  0.111309D+01 -0.193847D+01  0.471434D+01
      6   0.579385D+01 -0.264122D+00 -0.586782D+01  0.875540D+01 -0.648533D+00
               206           207           208           209           210 
      1   0.549723D+01 -0.176559D+02 -0.456713D-01 -0.790712D+01 -0.459683D+01
      2  -0.387320D+00 -0.112000D+02 -0.348127D+00  0.100151D+02  0.186954D+01
      3  -0.510991D+01  0.288559D+02  0.393798D+00 -0.210802D+01  0.272730D+01
      4   0.333012D+01  0.429001D+00  0.168589D+02  0.755764D+01  0.799204D+01
      5  -0.228714D+01  0.111847D+02  0.871255D+01  0.557352D+01  0.558375D+01
      6   0.741087D+01 -0.169925D+02  0.898480D+01  0.110914D+02  0.101505D+02
               211           212           213           214           215 
      1  -0.212177D+01 -0.333798D+01 -0.194200D+01 -0.157386D+01 -0.148913D+01
      2   0.286305D+01  0.708780D+01  0.156661D+01 -0.648495D+00 -0.113397D+01
      3  -0.741279D+00 -0.374982D+01  0.375383D+00  0.222236D+01  0.262311D+01
      4   0.778381D+01  0.733204D+01  0.472356D+01  0.420862D+01  0.387037D+01
      5   0.284753D+01  0.300605D+01  0.219735D+01  0.454872D+01  0.213286D+01
      6   0.523908D+01  0.520515D+01  0.545078D+01  0.521597D+01  0.490836D+01
               216           217           218           219           220 
      1  -0.399185D+01 -0.394370D+00  0.337468D+01  0.246544D+01  0.240914D+00
      2  -0.197066D+01 -0.348936D+01 -0.417875D+01  0.606016D+01 -0.116868D+01
      3   0.596251D+01  0.388373D+01  0.804072D+00 -0.852560D+01  0.927761D+00
      4   0.520627D+01 -0.350473D+01  0.453545D+01  0.431429D+01  0.502166D+00
      5   0.344729D+01 -0.473925D+01  0.185255D+01  0.831722D+01  0.259858D+00
      6   0.824279D+01  0.420400D+01 -0.325829D+01 -0.707464D+01 -0.128228D+00
               221           222           223           224           225 
      1   0.263098D+01  0.159421D+01  0.161061D+01 -0.510304D+01 -0.117191D+02
      2  -0.551154D+01  0.236433D+01  0.336544D+01  0.325789D+01 -0.156731D+02
      3   0.288055D+01 -0.395854D+01 -0.497606D+01  0.184516D+01  0.273922D+02
      4   0.217619D+01  0.630946D+00  0.379560D+01 -0.212345D+01 -0.274043D+01
      5  -0.129552D+01  0.927495D+00  0.562006D+01 -0.121396D+01 -0.950585D+01
      6  -0.181929D+01  0.689012D+00 -0.303842D+01  0.672842D+01  0.183859D+02
               226           227           228           229           230 
      1  -0.745681D+00 -0.487997D+00 -0.119994D+01 -0.616783D+01 -0.112943D+02
      2   0.410066D+01 -0.220030D+01  0.161458D+01  0.179139D+01  0.204176D+02
      3  -0.335498D+01  0.268830D+01 -0.414641D+00  0.437644D+01 -0.912336D+01
      4  -0.310569D+01  0.533220D+01  0.147831D+00  0.877337D+01 -0.207303D+02
      5  -0.133986D+01 -0.359530D+00  0.153809D+00 -0.503354D+01  0.282046D+01
      6   0.251213D+00  0.501414D+00 -0.198176D+00  0.389035D+01 -0.119436D+02
               231           232           233           234           235 
      1   0.168580D+01 -0.530310D+01  0.193166D+01 -0.406818D+01 -0.236750D+01
      2  -0.121663D+00  0.351925D+01  0.104494D+01  0.209044D+01 -0.149979D+00
      3  -0.156414D+01  0.178385D+01 -0.297660D+01  0.197774D+01  0.251748D+01
      4   0.446271D+01  0.177341D+01 -0.227956D+01 -0.182674D+01  0.792669D+00
      5  -0.489468D+01 -0.110843D+01 -0.169359D+01  0.968591D-01  0.282117D+00
      6   0.567697D+01  0.648276D-01  0.266883D+01 -0.190312D+01  0.123237D+01
               236           237           238           239           240 
      1   0.789690D+00  0.350249D+01  0.357589D+01 -0.345533D+01  0.999955D+00
      2  -0.160643D+01  0.947033D+00 -0.377057D+01  0.906043D+00 -0.318311D+01
      3   0.816738D+00 -0.444952D+01  0.194685D+00  0.254929D+01  0.218315D+01
      4  -0.405911D+00  0.147183D+00  0.880940D+00 -0.975668D+00  0.227820D+01
      5   0.107603D+01  0.192381D+01  0.176320D+01  0.146602D+01  0.172725D+01
      6  -0.797032D+00  0.177643D+01  0.125121D+00 -0.187398D+01  0.449487D+01
               241           242           243           244           245 
      1   0.424969D+01  0.383565D+01 -0.197353D+02  0.166315D-01  0.786841D+01
      2  -0.623458D+01  0.780179D+00 -0.157595D+02 -0.409270D+00 -0.999402D+01
      3   0.198489D+01 -0.461582D+01  0.354948D+02  0.392639D+00  0.212561D+01
      4  -0.162782D+01  0.364483D+01 -0.261859D+01 -0.169192D+02  0.759328D+01
      5   0.719449D+01 -0.395068D+01  0.211660D+02 -0.877072D+01  0.559717D+01
      6  -0.155442D+01  0.554380D+01 -0.986612D+01  0.902962D+01 -0.110666D+02
               246           247           248           249           250 
      1   0.455734D+01  0.208253D+01 -0.325798D+01 -0.189870D+01  0.156128D+01
      2  -0.182487D+01 -0.283906D+01  0.699168D+01  0.152782D+01  0.674775D+00
      3  -0.273247D+01  0.756535D+00 -0.373369D+01  0.370881D+00 -0.223606D+01
      4   0.804582D+01  0.776370D+01 -0.732145D+01 -0.471290D+01  0.423629D+01
      5   0.563698D+01  0.284569D+01 -0.299567D+01 -0.219420D+01  0.457969D+01
      6  -0.101639D+02 -0.521966D+01  0.514025D+01  0.541869D+01 -0.522590D+01
               251           252           253           254           255 
      1  -0.146651D+01 -0.396815D+01 -0.405780D+00 -0.342542D+01 -0.250664D+01
      2  -0.115741D+01 -0.200090D+01 -0.348772D+01  0.422102D+01 -0.604587D+01
      3   0.262392D+01  0.596905D+01  0.389350D+01 -0.795607D+00  0.855251D+01
      4  -0.386107D+01 -0.521815D+01  0.351483D+01  0.454096D+01  0.434700D+01
      5  -0.213583D+01 -0.348062D+01  0.473556D+01  0.186348D+01  0.831656D+01
      6   0.490111D+01  0.825425D+01  0.422621D+01  0.329740D+01  0.713553D+01
               256           257           258           259           260 
      1  -0.259254D+00  0.263177D+01  0.157555D+01 -0.162214D+01 -0.513634D+01
      2   0.118373D+01 -0.549881D+01  0.232609D+01 -0.336303D+01  0.325308D+01
      3  -0.924481D+00  0.286704D+01 -0.390164D+01  0.498517D+01  0.188326D+01
      4   0.525776D+00 -0.211589D+01 -0.612834D+00  0.380858D+01  0.211601D+01
      5   0.273287D+00  0.131215D+01 -0.895342D+00  0.561484D+01  0.122180D+01
      6   0.155845D+00 -0.178012D+01  0.727632D+00  0.305398D+01  0.676781D+01
               261           262           263           264           265 
      1  -0.117374D+02  0.202218D+02 -0.490671D+01 -0.759362D+01 -0.791087D+01
      2  -0.156226D+02 -0.164514D+02  0.666355D+01  0.938562D+01  0.868798D+01
      3   0.273600D+02 -0.377036D+01 -0.175684D+01 -0.179200D+01 -0.777113D+00
      4   0.278145D+01 -0.755378D+00  0.662405D+01  0.129209D+01  0.108791D+01
      5   0.946526D+01 -0.155207D+02  0.392154D+01  0.107472D+02  0.106600D+02
      6   0.184590D+02  0.544737D+00 -0.144943D+01  0.751526D+00 -0.102406D+01
               266           267           268           269           270 
      1   0.515195D+01  0.365696D+01 -0.331702D+01  0.123492D+01  0.179609D+01
      2  -0.573039D+01 -0.622677D+01  0.655728D+01 -0.198260D+01 -0.774202D+01
      3   0.578435D+00  0.256981D+01 -0.324027D+01  0.747689D+00  0.594593D+01
      4  -0.736166D+01 -0.492753D+00  0.268714D+01 -0.373893D+00 -0.198520D+01
      5  -0.250765D+01 -0.758446D+01  0.772887D+01 -0.343948D+01 -0.854603D+01
      6   0.247756D+01  0.487206D+00 -0.348468D+00  0.152691D+01 -0.810393D+00
               271           272           273           274           275 
      1  -0.210052D+01  0.243002D+01 -0.696943D+01  0.440366D+00 -0.495711D+01
      2  -0.177754D+01 -0.153242D+01 -0.124918D+01  0.417159D+00  0.209874D+01
      3   0.387806D+01 -0.897593D+00  0.821860D+01 -0.857525D+00  0.285837D+01
      4  -0.603831D+01 -0.281926D+01  0.275177D+00  0.163332D+01  0.178979D+01
      5   0.237854D+01  0.200838D+01 -0.257772D+00  0.119402D+00 -0.109101D+01
      6   0.347214D-01  0.316175D+01 -0.578279D+01  0.270569D+00 -0.581915D+01
               276           277           278           279           280 
      1   0.606171D+01 -0.252190D+01  0.547453D+01 -0.176515D+02  0.643458D+01
      2  -0.836675D+00  0.162489D+01 -0.402708D+00 -0.112774D+02 -0.330079D+01
      3  -0.522503D+01  0.897008D+00 -0.507182D+01  0.289289D+02 -0.313378D+01
      4  -0.545323D+00 -0.338846D+01 -0.334610D+01 -0.442185D+00  0.440021D+01
      5   0.190550D+01  0.472830D+01  0.228606D+01 -0.112090D+02  0.785597D+01
      6   0.869979D+01  0.667801D+00  0.739015D+01 -0.169979D+02  0.202460D+01
               281           282           283           284           285 
      1   0.340252D+01  0.661562D+01  0.851392D+01 -0.778611D+00 -0.190016D+01
      2  -0.121630D+01 -0.364169D+01 -0.447696D+01  0.384315D+01 -0.560906D+00
      3  -0.218623D+01 -0.297392D+01 -0.403696D+01 -0.306454D+01  0.246106D+01
      4   0.516117D+01  0.178054D+01  0.116782D+02  0.241350D+02  0.121880D+02
      5   0.233950D+01  0.491461D+01  0.674046D+01  0.128637D+02  0.148399D+02
      6   0.746570D+00  0.658252D+00  0.421735D+01  0.116933D+02  0.827048D+01
               286           287           288           289           290 
      1   0.829421D+01 -0.198982D+01 -0.838377D+00  0.656183D+02 -0.162832D+02
      2  -0.628524D+01 -0.842112D+00 -0.394184D+01 -0.361956D+02  0.795411D+01
      3  -0.200897D+01  0.283193D+01  0.478022D+01 -0.294227D+02  0.832908D+01
      4   0.350260D+01  0.872518D+01  0.859378D+01 -0.210942D+02  0.133758D+02
      5   0.872570D+01  0.894767D+01  0.135515D+02  0.272409D+02 -0.719463D+01
      6   0.218114D+01  0.732300D+01  0.676214D+01 -0.459537D+01  0.308435D+01
               291           292           293           294           295 
      1   0.169505D+02 -0.261088D+02  0.125599D+02 -0.696586D+01  0.149243D+02
      2  -0.110051D+02  0.130608D+02 -0.515231D+01  0.469779D+01 -0.116337D+02
      3  -0.594537D+01  0.130480D+02 -0.740754D+01  0.226806D+01 -0.329060D+01
      4  -0.619392D+01  0.201064D+02 -0.133672D+02  0.880549D+01 -0.572599D+01
      5   0.172073D+02 -0.122033D+02  0.965316D+01 -0.771969D+01  0.208137D+02
      6  -0.199718D+01  0.540577D+01 -0.342147D+01  0.428369D+01 -0.310854D+01
               296           297           298           299           300 
      1  -0.370636D+01  0.114489D+02  0.653669D+02  0.164214D+02 -0.168292D+02
      2   0.335106D+01 -0.947715D+01 -0.359491D+02 -0.797836D+01  0.108917D+02
      3   0.355300D+00 -0.197178D+01 -0.294178D+02 -0.844301D+01  0.593747D+01
      4   0.587953D+01 -0.550861D+01  0.214017D+02  0.135305D+02 -0.624721D+01
      5  -0.596178D+01  0.131480D+02 -0.270469D+02 -0.722460D+01  0.171017D+02
      6   0.372304D+01 -0.270443D+01 -0.464852D+01 -0.310826D+01  0.203522D+01
               301           302           303           304           305 
      1   0.262435D+02  0.126646D+02 -0.695277D+01 -0.148057D+02 -0.370010D+01
      2  -0.130529D+02 -0.513583D+01  0.466047D+01  0.115153D+02  0.333451D+01
      3  -0.131906D+02 -0.752882D+01  0.229230D+01  0.329034D+01  0.365588D+00
      4   0.203360D+02  0.135990D+02 -0.885742D+01 -0.578186D+01 -0.591331D+01
      5  -0.122179D+02 -0.969321D+01  0.775056D+01  0.207083D+02  0.601200D+01
      6  -0.544399D+01 -0.348123D+01  0.430486D+01  0.316448D+01  0.374775D+01
               306           307           308           309           310 
      1   0.113815D+02  0.659310D+01 -0.343068D+01 -0.662980D+01 -0.861145D+01
      2  -0.938967D+01 -0.339107D+01  0.123747D+01  0.366356D+01  0.454696D+01
      3  -0.199181D+01 -0.320202D+01  0.219321D+01  0.296623D+01  0.406448D+01
      4   0.557931D+01 -0.446028D+01  0.526107D+01  0.180973D+01  0.117719D+02
      5  -0.130463D+02 -0.792227D+01  0.238379D+01  0.498877D+01  0.681186D+01
      6  -0.274160D+01  0.201869D+01 -0.789445D+00 -0.684277D+00 -0.424821D+01
               311           312           313           314           315 
      1  -0.564510D+00 -0.177958D+01 -0.832386D+01 -0.191831D+01 -0.743295D+00
      2   0.365827D+01 -0.652312D+00  0.631744D+01 -0.896786D+00 -0.400399D+01
      3  -0.309376D+01  0.243189D+01  0.200642D+01  0.281510D+01  0.474728D+01
      4  -0.241292D+02 -0.121936D+02  0.350439D+01 -0.872680D+01 -0.859350D+01
      5  -0.128842D+02 -0.148645D+02  0.878342D+01 -0.895479D+01 -0.135787D+02
      6   0.116038D+02  0.819506D+01 -0.219387D+01  0.727310D+01  0.670061D+01
               316           317           318           319           320 
      1  -0.232809D+01 -0.793311D+00 -0.348840D+01 -0.359333D+01 -0.346789D+01
      2  -0.183711D+00  0.159814D+01 -0.925974D+00  0.379196D+01  0.923976D+00
      3   0.251180D+01 -0.804831D+00  0.441437D+01 -0.198632D+00  0.254391D+01
      4  -0.802389D+00 -0.420231D+00  0.146906D+00  0.846457D+00  0.945953D+00
      5  -0.308168D+00  0.107572D+01  0.195361D+01  0.178483D+01 -0.144989D+01
      6   0.123756D+01  0.801043D+00 -0.176948D+01 -0.108966D+00 -0.185081D+01
               321           322           323           324           325 
      1   0.967185D+00 -0.423915D+01  0.380371D+01 -0.197249D+02 -0.810094D+00
      2  -0.322156D+01  0.623744D+01  0.766535D+00 -0.157816D+02  0.412941D+01
      3   0.225438D+01 -0.199829D+01 -0.457024D+01  0.355064D+02 -0.331932D+01
      4  -0.226535D+01 -0.164886D+01 -0.364041D+01  0.258527D+01  0.302700D+01
      5  -0.178009D+01  0.720182D+01  0.393528D+01 -0.211923D+02  0.135663D+01
      6   0.446757D+01  0.156282D+01  0.553917D+01 -0.987382D+01  0.267674D+00
               326           327           328           329           330 
      1   0.494822D+00  0.119085D+01  0.615569D+01 -0.114407D+02  0.174472D+01
      2   0.216101D+01 -0.161370D+01 -0.180122D+01  0.205503D+02 -0.185656D+00
      3  -0.265584D+01  0.422849D+00 -0.435447D+01 -0.910966D+01 -0.155906D+01
      4   0.524334D+01  0.170018D+00  0.873663D+01  0.206801D+02 -0.448877D+01
      5  -0.347363D+00  0.141143D+00 -0.501980D+01 -0.283604D+01  0.488739D+01
      6  -0.454742D+00  0.175196D+00 -0.387540D+01 -0.120226D+02  0.572463D+01
               331           332           333 
      1   0.527684D+01  0.195323D+01 -0.408626D+01
      2  -0.350784D+01  0.102047D+01  0.209380D+01
      3  -0.176900D+01 -0.297370D+01  0.199247D+01
      4   0.178733D+01  0.225298D+01  0.180913D+01
      5  -0.109836D+01  0.168335D+01 -0.115137D+00
      6  -0.757072D-01  0.269419D+01 -0.192204D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147860D+03      0.219106D+02      0.243788D+02
   aniso      0.339335D+02      0.502842D+01      0.559487D+01
   xx         0.159952D+03      0.237024D+02      0.263725D+02
   yx        -0.839941D-03     -0.124466D-03     -0.138488D-03
   yy         0.158372D+03      0.234682D+02      0.261119D+02
   zx        -0.166059D-02     -0.246074D-03     -0.273795D-03
   zy         0.814159D-01      0.120646D-01      0.134237D-01
   zz         0.125256D+03      0.185611D+02      0.206520D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147860D+03      0.219106D+02      0.243788D+02
   aniso      0.339335D+02      0.502842D+01      0.559487D+01
   xx         0.125262D+03      0.185619D+02      0.206529D+02
   yx         0.216283D+00      0.320498D-01      0.356602D-01
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   zy         0.107447D-01      0.159219D-02      0.177155D-02
   zz         0.159947D+03      0.237018D+02      0.263718D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 THE MORE PROGRESS PHYSICAL SCIENCES MAKE, THE MORE THEY TEND TO ENTER
 THE DOMAIN OF MATHEMATICS, WHICH IS A KIND OF CENTRE TO WHICH THEY ALL
 CONVERGE.  WE MAY EVEN JUDGE THE DEGREE OF PERFECTION TO WHICH A 
 SCIENCE HAS ARRIVED BY THE FACILITY WITH WHICH IT MAY BE SUBMITTED
 TO CALCULATION.

                               -- ADOLPHE QUETELET, 1796-1874
 Job cpu time:       2 days 23 hours  4 minutes 38.4 seconds.
 Elapsed time:       0 days  8 hours 56 minutes  6.7 seconds.
 File lengths (MBytes):  RWF=    793 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Mon Jul 19 02:10:41 2021.
